SCHEMBL20127634

SCHEMBL20127634

c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 0.39
CYP1A1 P04798 8/20 0.39
AHR P35869 2/20 0.39
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.38
ALOX5 P09917 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
HPRT1 P00492 1/20 0.36
HNF4A P41235 1/20 0.35
CYP1A2 P05177 7/20 0.35
PRKDC P78527 2/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL20127434 0.93 CYP1B1 (0.41) CYP1B1CYP1A1AHRHSD17B10TDP1
SCHEMBL20127642 0.93 AHR (0.40) CYP1B1CYP1A1AHRHSD17B10TDP1
SCHEMBL10122341 0.91 AHR (0.41) CYP1B1CYP1A1AHRHSD17B10ALDH1A1
SCHEMBL20127669 0.90 CYP1A1 (0.40) CYP1B1CYP1A1AHRHSD17B10ALDH1A1
SCHEMBL10122605 0.89 CYP1A1 (0.47) CYP1B1CYP1A1HSD17B10TDP1ALDH1A1
SCHEMBL20127635 0.88 ALDH1A1 (0.44) CYP1B1AHRHSD17B10TDP1L3MBTL1
SCHEMBL20127435 0.87 ALDH1A1 (0.44) CYP1B1CYP1A1AHRHSD17B10TDP1
SCHEMBL10122380 0.87 AHR (0.41) CYP1B1CYP1A1AHRHSD17B10ALDH1A1
SCHEMBL19081707 0.87 DYRK1A (0.39) CYP1B1CYP1A1AHRHSD17B10TDP1
SCHEMBL19081470 0.87 CYP1A1 (0.39) CYP1B1CYP1A1AHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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 (1 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 CYP1B1 341/4885CYP1A1 399/4885AHR 2558/4885

“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.