SCHEMBL17345875

SCHEMBL17345875

Cc1cc(C)c2cc(C)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL21983452 0.79 ALDH1A1 (0.35) HSD17B10ALDH1A1BCL2L1MCL1
SCHEMBL16612057 0.74 ACHE (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20126954 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL18889225 0.71 KDM4E (0.50) ALDH1A1MAPTBCL2L1MCL1
SCHEMBL9826992 0.71 HSD17B10 (0.37) HSD17B10CYP1A2CYP2A6SMN1; SMN2
SCHEMBL9827000 0.70 GAA (0.33) HSD17B10RAPGEF4MAPT
SCHEMBL15281129 0.70 ALDH1A1 (0.39) HSD17B10ALDH1A1
SCHEMBL806604 0.70 PLAU (0.55) HSD17B10CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL4416724 0.69 ALDH1A1 (0.52) HSD17B10CYP2A6ALDH1A1MAPT
SCHEMBL25809514 0.68 MAPT (0.41) HSD17B10ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110227407-B Modified boron carbide nitrogen material and preparation method and application thereof 中国石油化工股份有限公司 2022-06-28 CN disclosed
US-9382265-B2 Oxazolidone compound, preparing method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-05 US disclosed
US-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-17 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-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF CYP3A43, CYP2C9, F2 HSD17B10 451/4885CYP1A2 14/4885CYP2A6 42/4885

“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.