SCHEMBL3194411

SCHEMBL3194411

O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)OCCO2

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.84
▸ MAPT P10636 3/20 0.84
▸ KDM4E B2RXH2 1/20 0.84
▸ TSHR P16473 4/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ CMA1 P23946 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL3194391 1.00 ALDH1A1 (0.84) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL3196125 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL3196109 0.91 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL3187846 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETSHRPKM
SCHEMBL4591461 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETSHRPKM
SCHEMBL3187862 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETSHRPKM
SCHEMBL3188647 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL5922740 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ETSHRCYP3A4
SCHEMBL3192381 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ETSHRNPC1
SCHEMBL3192354 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ETSHRNPC1

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 ALDH1A1 3191/4885MAPT 4124/4885KDM4E 876/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885MAPT 4124/4885KDM4E 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.

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