SCHEMBL23809095

SCHEMBL23809095

CC(C)c1cccc2c1cc(C(=O)O)n2C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
HSD17B10 Q99714 4/20 0.43
GFER P55789 2/20 0.43
RHEB Q15382 1/20 0.43
SLC9A1 P19634 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PHGDH O43175 2/20 0.39
EGFR P00533 1/20 0.39
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL23809377 0.86 SLC9A1 (0.48) MCL1HSD17B10SLC9A1KDM4EALDH1A1
SCHEMBL23809193 0.83 GAA (0.40) MCL1KDM4EALDH1A1HPGDMAPK1
SCHEMBL2326927 0.79 MCL1 (0.57) MCL1HSD17B10GFERRHEBSLC9A1
SCHEMBL2276306 0.79 SLC9A1 (0.64) MCL1HSD17B10GFERRHEBSLC9A1
SCHEMBL23809223 0.78 NTRK1 (0.44) MCL1ALDH1A1
SCHEMBL27017056 0.78 GPR3 (0.39) HSD17B10KDM4EALDH1A1HPGDDAO
SCHEMBL23809171 0.78 HSD17B10 (0.46) MCL1HSD17B10GFERRHEBKDM4E
SCHEMBL23809181 0.78 GPR35 (0.45) MCL1HSD17B10GFERRHEBKDM4E
SCHEMBL19343561 0.78 MCL1 (0.56) MCL1HSD17B10GFERRHEBSLC9A1
SCHEMBL3306325 0.78 MCL1 (0.56) MCL1HSD17B10GFERRHEBSLC9A1

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 MCL1 1/4885HSD17B10 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.