SCHEMBL23809503

SCHEMBL23809503

CCc1cc(CN2CCOCC2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
CNR2 P34972 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
POLA1 P09884 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL26037542 0.80 SMN1; SMN2 (0.48) KDM4EALDH1A1
SCHEMBL26581391 0.76 POLB (0.42) KDM4EALDH1A1POLBHRH3HSD17B10
SCHEMBL23809431 0.74 MAPT (0.43) KDM4EMAPTALDH1A1POLBHRH3
SCHEMBL23809525 0.72 HRH3 (0.41) KDM4EMAPTALDH1A1POLBHRH3
SCHEMBL10397056 0.72 HTT (0.52) KDM4EMAPTALDH1A1POLBHTT
SCHEMBL26581441 0.71 KDM4E (0.52) KDM4EALDH1A1POLBLMNA
SCHEMBL26037604 0.71 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL23809314 0.70 KDM4E (0.41) KDM4EMAPTALDH1A1POLBLMNA
SCHEMBL23809267 0.69 HRH3 (0.43) KDM4EMAPTALDH1A1HTTHRH3
SCHEMBL23809265 0.68 PIK3CD (0.39) KDM4EMAPTALDH1A1HSD17B10HPGD

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 KDM4E 1156/4885MAPT 2996/4885ALDH1A1 2556/4885

“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.