SCHEMBL3187489

SCHEMBL3187489

Cc1cc(=O)oc2cc(N3C(=O)C4C5C=CC(CC5)C4C3=O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 2/20 0.49
GLA P06280 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CA1 P00915 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3187475 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3198727 0.93 TSHR (0.61) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3186148 0.93 TSHR (0.61) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3186156 0.93 TSHR (0.61) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL4083550 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EGAACYP3A4
SCHEMBL4083546 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EGAACYP3A4
SCHEMBL3199800 0.84 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3199813 0.84 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3186876 0.84 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL3186193 0.82 ALDH1A1 (0.55) L3MBTL1ALDH1A1KDM4EGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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 (2 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 L3MBTL1 3852/4885ALDH1A1 3191/4885KDM4E 876/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 L3MBTL1 3852/4885ALDH1A1 3191/4885KDM4E 876/4885

“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.