SCHEMBL23809529

SCHEMBL23809529

CCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2CCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MCL1 Q07820 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GPR35 Q9HC97 1/20 0.33
CCNC P24863 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
SCHEMBL23809215 0.91 ALDH1A1 (0.41) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809284 0.85 ALDH1A1 (0.38) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809113 0.84 FABP3 (0.41) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809228 0.81 KDM4E (0.43) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809128 0.80 CCR2 (0.42) MCL1ALDH1A1CCNCCDK8HASPIN
SCHEMBL23809272 0.79 MCL1 (0.35) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809535 0.79 KDM4E (0.36) NTRK1MCL1KDM4EALDH1A1HPGD
SCHEMBL26036900 0.79 MCL1 (0.39) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809271 0.78 KDM4E (0.41) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809536 0.75 ALDH1A1 (0.33) MCL1KDM4EALDH1A1HPGDHSD17B10

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 NTRK1 3426/4885AKR1C3 4364/4885AKR1C2 4093/4885

“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.