SCHEMBL3204412

SCHEMBL3204412

Cc1cc(=O)oc2cc(N3C(=O)C4C5CCC(C(=O)C5)C4C3=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 6/20 0.50
GAA P10253 4/20 0.50
LMNA P02545 2/20 0.45
CA9 Q16790 8/20 0.43
CA1 P00915 7/20 0.43
CA12 O43570 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 5/20 0.43
GLA P06280 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1B1 P15121 1/20 0.40
UGT1A1 P22309 1/20 0.40
KDR P35968 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL5922665 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EGAALMNACA9
SCHEMBL5922667 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EGAALMNACA9
SCHEMBL5922821 0.84 HSD17B3 (0.47) ALDH1A1KDM4EGAALMNACA9
SCHEMBL5922827 0.84 HSD17B3 (0.47) ALDH1A1KDM4EGAALMNACA9
SCHEMBL4591830 0.84 HSD17B3 (0.47) ALDH1A1KDM4EGAALMNACA9
SCHEMBL3190014 0.84 HSD17B3 (0.47) ALDH1A1KDM4EGAALMNACA9
SCHEMBL3191576 0.80 ALDH1A1 (0.57) ALDH1A1GAALMNACASP1CYP3A4
SCHEMBL3191564 0.80 ALDH1A1 (0.57) ALDH1A1GAALMNACASP1CYP3A4
SCHEMBL4590867 0.80 ALDH1A1 (0.57) ALDH1A1GAALMNACASP1CYP3A4
SCHEMBL3191556 0.80 ALDH1A1 (0.57) ALDH1A1GAALMNACASP1CYP3A4

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 3191/4885KDM4E 876/4885GAA 4211/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885KDM4E 876/4885GAA 4211/4885

“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.