SCHEMBL23809282

SCHEMBL23809282

COCCOCc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
SRD5A2 P31213 2/20 0.36
SRD5A1 P18405 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PHGDH O43175 2/20 0.34
MCL1 Q07820 2/20 0.33
GPR35 Q9HC97 1/20 0.33
NR4A2 P43354 1/20 0.33
DGAT1 O75907 4/20 0.32
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL23809489 0.90 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809517 0.86 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809271 0.84 KDM4E (0.41) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809228 0.82 KDM4E (0.43) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809314 0.82 KDM4E (0.41) ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL23809153 0.79 HSD17B10 (0.36) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809290 0.76 KDM4E (0.54) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809170 0.75 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL23809525 0.75 HRH3 (0.41) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL23809313 0.74 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4EHPGDSMN1; 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 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 ALDH1A1 2556/4885HSD17B10 3627/4885KDM4E 1156/4885

“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.