SCHEMBL3199805

SCHEMBL3199805

O=C1[C@@H]2[C@H](C(=O)N1c1ccc3c(c1)oc1ccccc13)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ATM Q13315 1/20 0.52
KMT2A Q03164 3/20 0.47
PTGER4 P35408 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL3199810 1.00 POLB (0.56) POLBL3MBTL1ALDH1A1ATMKMT2A
SCHEMBL3198842 0.92 SMN1; SMN2 (0.54) POLBL3MBTL1ALDH1A1KMT2APTGER4
SCHEMBL3198852 0.92 SMN1; SMN2 (0.54) POLBL3MBTL1ALDH1A1KMT2APTGER4
SCHEMBL4591776 0.92 SMN1; SMN2 (0.54) POLBL3MBTL1ALDH1A1KMT2APTGER4
SCHEMBL3181265 0.84 L3MBTL1 (0.47) POLBL3MBTL1ALDH1A1ATMKMT2A
SCHEMBL3181268 0.84 L3MBTL1 (0.47) POLBL3MBTL1ALDH1A1ATMKMT2A
SCHEMBL5922888 0.82 MEN1 (0.51) POLBL3MBTL1ALDH1A1ATMKMT2A
SCHEMBL3200559 0.81 PTGER4 (0.48) POLBL3MBTL1ALDH1A1KMT2APTGER4
SCHEMBL3187489 0.80 L3MBTL1 (0.57) POLBL3MBTL1ALDH1A1ATMKMT2A
SCHEMBL3187475 0.80 L3MBTL1 (0.57) POLBL3MBTL1ALDH1A1ATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 POLB 3096/4885L3MBTL1 3852/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 POLB 3096/4885L3MBTL1 3852/4885ALDH1A1 3191/4885

“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.