SCHEMBL3180167

SCHEMBL3180167

O=C1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@@H]43)[C@@H]2C(=O)N1c1cccc(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CFTR P13569 1/20 0.38

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
SCHEMBL3180182 1.00 KMT2A (0.43) KMT2AALOX5ATML3MBTL1LMNA
SCHEMBL3180176 1.00 KMT2A (0.43) KMT2AALOX5ATML3MBTL1LMNA
SCHEMBL3201219 0.86 MGLL (0.54) KMT2AALOX5ATML3MBTL1LMNA
SCHEMBL3201222 0.86 MGLL (0.54) KMT2AALOX5ATML3MBTL1LMNA
SCHEMBL3201214 0.86 MGLL (0.54) KMT2AALOX5ATML3MBTL1LMNA
SCHEMBL3188953 0.80 ALDH1A1 (0.59) KMT2AATML3MBTL1LMNAMEN1
SCHEMBL3188961 0.80 ALDH1A1 (0.59) KMT2AATML3MBTL1LMNAMEN1
SCHEMBL3188968 0.80 ALDH1A1 (0.59) KMT2AATML3MBTL1LMNAMEN1
SCHEMBL3186341 0.78 FAAH (0.50) KMT2AATML3MBTL1LMNAMEN1
SCHEMBL3202777 0.78 FAAH (0.50) KMT2AATML3MBTL1LMNAMEN1

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 3 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
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

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 KMT2A 1756/4885ALOX5 1989/4885ATM 1135/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885ALOX5 1989/4885ATM 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.

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