SCHEMBL1636828

SCHEMBL1636828

c1ccc2cc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccc5ccccc5c4)cc36)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALOX5 P09917 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
PGR P06401 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GSTP1 P09211 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G4A P47712 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL1636936 1.00 ESR1 (0.47) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1636939 0.98 ESR1 (0.46) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1636944 0.98 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL13979519 0.96 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL12037403 0.96 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1637404 0.95 HSD17B1 (0.49) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1636395 0.94 ESR1 (0.46) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL1636030 0.94 ESR1 (0.46) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL12024529 0.94 ESR1 (0.48) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL12024491 0.94 ESR1 (0.48) ESR1ESR2ALOX5HSD17B1HSD17B2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 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 (3 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-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, ILK ESR1 89/4885ESR2 271/4885ALOX5 2627/4885
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX ESR1 107/4885ESR2 325/4885ALOX5 2350/4885
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX ESR1 107/4885ESR2 325/4885ALOX5 2350/4885

“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.