SCHEMBL10013477

SCHEMBL10013477

c1ccc(-c2ccc(-c3cnc(-c4ccc5cc6cc(-c7ncc(-c8ccc(-c9ccccc9)cc8)s7)ccc6cc5c4)s3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.56
HSD17B2 P37059 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTPN1 P18031 1/20 0.46
HPGDS O60760 2/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDR P35968 2/20 0.41
ERCC5 P28715 1/20 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
SCHEMBL10013452 0.98 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL10013446 0.95 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL10013476 0.94 HSD17B1 (0.51) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL10013453 0.92 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL16005450 0.92 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL13142444 0.90 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL13142445 0.90 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL10013479 0.89 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1
SCHEMBL10013475 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9HPGDS
SCHEMBL13142447 0.89 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9PTPN1

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-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-04-17 US disclosed
US-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-04-17 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-20080087884-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR SLC19A2, TCP1, TTI1 HSD17B1 1220/4885HSD17B2 2253/4885CYP3A4 1566/4885

“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.