SCHEMBL3202682

SCHEMBL3202682

O=C1[C@@H]2[C@H](C(=O)N1c1cccc3c(O)cccc13)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3197815 1.00 ALDH1A1 (0.52) ALDH1A1POLBATML3MBTL1ESR2
SCHEMBL3188038 0.86 ALDH1A1 (0.54) ALDH1A1POLBATML3MBTL1ESR2
SCHEMBL3188027 0.86 ALDH1A1 (0.54) ALDH1A1POLBATML3MBTL1ESR2
SCHEMBL3187616 0.84 MEN1 (0.52) ALDH1A1ESR2ESR1KMT2ATSHR
SCHEMBL5922774 0.84 MEN1 (0.52) ALDH1A1ESR2ESR1KMT2ATSHR
SCHEMBL3190888 0.82 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1ESR2ESR1
SCHEMBL3190902 0.82 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1ESR2ESR1
SCHEMBL3199835 0.79 ALDH1A1 (0.47) ALDH1A1POLBATML3MBTL1ESR2
SCHEMBL3199847 0.79 ALDH1A1 (0.47) ALDH1A1POLBATML3MBTL1ESR2
SCHEMBL3191151 0.78 POLB (0.54) ALDH1A1POLBATML3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
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
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO 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 ALDH1A1 3191/4885POLB 3096/4885ATM 1135/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885POLB 3096/4885ATM 1135/4885

“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.