SCHEMBL23809181

SCHEMBL23809181

CC(C)c1cc(O)cc2c1cc(C(=O)O)n2C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
HSD17B10 Q99714 4/20 0.43
GFER P55789 2/20 0.43
MCL1 Q07820 2/20 0.41
RHEB Q15382 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
SRD5A2 P31213 2/20 0.35
PHGDH O43175 7/20 0.34
SRD5A1 P18405 1/20 0.33
GLA P06280 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL23809171 0.84 HSD17B10 (0.46) GPR35HSD17B10GFERMCL1RHEB
SCHEMBL23809095 0.78 MCL1 (0.53) GPR35HSD17B10GFERMCL1RHEB
SCHEMBL19331335 0.78 RHEB (0.48) GPR35HSD17B10GFERMCL1RHEB
SCHEMBL23809247 0.76 SRD5A2 (0.59) MCL1SRD5A2SRD5A1
SCHEMBL23809175 0.71 GPR35 (0.41) GPR35HSD17B10GFERMCL1RHEB
SCHEMBL14273020 0.68 FABP3 (0.69) HPGDFABP3FABP4
SCHEMBL19331160 0.68 GPR35 (0.56) GPR35HSD17B10GFERMCL1RHEB
SCHEMBL20314845 0.67 NQO2 (0.33) KDM4EALDH1A1HPGDRXFP1
SCHEMBL3061835 0.67 MCL1 (0.64) GPR35HSD17B10GFERMCL1MAPK1
SCHEMBL23809389 0.67 KDM4E (0.42) GPR35HSD17B10GFERMCL1RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 GPR35 3148/4885HSD17B10 3627/4885GFER 3643/4885

“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.