SCHEMBL10000529

SCHEMBL10000529

c1ccc(-c2cc3sc4c5ccccc5sc4c3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
GPR3 P46089 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTP4A3 O75365 1/20 0.39
PTP4A2 Q12974 1/20 0.39
PTP4A1 Q93096 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL20662900 0.97 CYP1A1 (0.42) CYP1A1CYP1B1TNKSTNKS2GPR3
SCHEMBL10000533 0.89 GPR3 (0.46) TNKSTNKS2GPR3ALOX5MAPT
SCHEMBL23046398 0.87 TNKS (0.43) CYP1A1CYP1B1TNKSTNKS2GPR3
SCHEMBL14225443 0.82 IKBKB (0.46) CYP1A1CYP1B1MAPTRAB9ANPC1
SCHEMBL20804474 0.81 IKBKB (0.44) CYP1A1CYP1B1MAPTRAB9ANPC1
SCHEMBL21014754 0.80 RAB9A (0.41) CYP1A1CYP1B1GPR3ALOX5MAPT
SCHEMBL10000535 0.79 NQO1 (0.45) CYP1A1CYP1B1GPR3MAPTADORA2A
SCHEMBL20662908 0.79 RAB9A (0.45) CYP1A1CYP1B1MAPTRAB9ANPC1
SCHEMBL20662909 0.79 RAB9A (0.45) CYP1A1CYP1B1MAPTRAB9ANPC1
SCHEMBL10000532 0.78 GPR3 (0.36) TNKSTNKS2GPR3ALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190081251-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLID-STATE IMAGING DEVICE SONY CORPORATION (JP) 2019-03-14 US disclosed
EP-3432376-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLID-STATE IMAGING DEVICE Sony Corporation (JP) 2019-01-23 EP disclosed
US-8350256-B2 Organic semiconductor compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-08 US disclosed
US-8350256-B2 Organic semiconductor compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-08 US disclosed
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-19 US disclosed
US-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-19 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-20120012819-A1 ORGANIC SEMICONDUCTOR COMPOUNDS TST, TPST2, BHMT2 CYP1A1 1971/4885CYP1B1 252/4885TNKS 2164/4885

“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.