SCHEMBL14680392

SCHEMBL14680392

Clc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1-c1cccc2ccccc12)-c1cccc2cccc-3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
ATM Q13315 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
SERPINE1 P05121 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14820667 0.92 THRA (0.35) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL14680417 0.90 ALDH1A1 (0.34) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL16357066 0.88 ALDH1A1 (0.38) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL21889355 0.88 ALDH1A1 (0.38) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL14680469 0.84 CYP1A2 (0.33) ALDH1A1HSD17B10CYP1A2CYP2A6HPGD
SCHEMBL3683071 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10ATMKDM4ERAB9A
SCHEMBL14680277 0.81 CA12 (0.35) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL14680405 0.81 ALDH1A1 (0.37) ALDH1A1HSD17B10ATMCYP1A2CYP2C19
SCHEMBL503284 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10ATMKDM4ECYP1A2
SCHEMBL30155046 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10ATMKDM4ECYP1A2

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-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 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-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME TRPA1, OCIAD1, BMP2 ALDH1A1 213/4885HSD17B10 1614/4885ATM 1808/4885

“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.