SCHEMBL1637551

SCHEMBL1637551

c1ccc2cc(-c3ccc4oc5c(ccc6c7cc(-c8ccc9ccccc9c8)ccc7oc65)c4c3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
PGR P06401 1/20 0.41
GSTP1 P09211 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G4A P47712 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1637298 1.00 CYP1A1 (0.45) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL1637399 0.98 ESR1 (0.47) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL1636430 0.98 CYP1A1 (0.44) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL1637303 0.95 HSD17B1 (0.46) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL25050917 0.92 CYP1A1 (0.43) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL9889876 0.90 CYP1A1 (0.41) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL1637009 0.90 ALOX5 (0.44) CYP1A1CYP1B1ALOX5CYP1A2CYP2C9
SCHEMBL25052872 0.89 CYP1A1 (0.42) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL10122442 0.89 CYP1A1 (0.42) CYP1A1CYP1B1ESR1ESR2ALOX5
SCHEMBL20127636 0.89 CYP1A1 (0.42) CYP1A1CYP1B1ESR1ESR2ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416178-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2022-12-29 US disclosed
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180040835-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US disclosed
US-8049411-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-01 US disclosed
US-8049411-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-01 US disclosed
US-20110253995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-10-20 US disclosed
US-20110253995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-10-20 US disclosed
US-20100295027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed
US-20100295027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed
US-20090309488-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-17 US disclosed
US-20090309488-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-17 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220416178-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, TMEM109, SLC39A14 CYP1A1 568/4885CYP1B1 739/4885ESR1 13/4885
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX CYP1A1 3132/4885CYP1B1 3571/4885ESR1 175/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM CYP1A1 2942/4885CYP1B1 3472/4885ESR1 138/4885
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX CYP1A1 2416/4885CYP1B1 3287/4885ESR1 107/4885
US-20110253995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM CYP1A1 2942/4885CYP1B1 3472/4885ESR1 138/4885
US-20090309488-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX CYP1A1 3132/4885CYP1B1 3571/4885ESR1 175/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX CYP1A1 3123/4885CYP1B1 3606/4885ESR1 172/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM CYP1A1 2942/4885CYP1B1 3472/4885ESR1 138/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX CYP1A1 3132/4885CYP1B1 3571/4885ESR1 175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.