SCHEMBL3188905

SCHEMBL3188905

O=C1C2CCCCC2C(=O)N1c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPT P10636 7/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CMA1 P23946 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL3198970 0.91 ALDH1A1 (0.65) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL3187743 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL3192354 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECMA1KMT2A
SCHEMBL3192381 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECMA1KMT2A
SCHEMBL3194391 0.76 ALDH1A1 (0.84) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL3194411 0.76 ALDH1A1 (0.84) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL29510602 0.75 CMA1 (0.58) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL28752534 0.75 CMA1 (0.58) ALDH1A1NPSR1MAPTKDM4ECMA1
SCHEMBL17532456 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL13820085 0.73 CMA1 (0.56) ALDH1A1MAPTKDM4ECMA1KMT2A

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 3191/4885NPSR1 2435/4885MAPT 4124/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885NPSR1 2435/4885MAPT 4124/4885

“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.

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