SCHEMBL3199835

SCHEMBL3199835

O=C1[C@@H]2[C@H](C(=O)N1c1cccc3ccc(O)cc13)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTR5A P47898 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3199847 1.00 ALDH1A1 (0.47) ALDH1A1HTR5AATML3MBTL1POLB
SCHEMBL3198624 0.92 TSHR (0.54) ALDH1A1HTR5AL3MBTL1POLBTSHR
SCHEMBL3190352 0.92 TSHR (0.54) ALDH1A1HTR5AL3MBTL1POLBTSHR
SCHEMBL3188323 0.83 L3MBTL1 (0.52) ALDH1A1HTR5AL3MBTL1POLBTSHR
SCHEMBL3188310 0.83 L3MBTL1 (0.52) ALDH1A1HTR5AL3MBTL1POLBTSHR
SCHEMBL3202682 0.79 ALDH1A1 (0.52) ALDH1A1ATML3MBTL1POLBTSHR
SCHEMBL3197815 0.79 ALDH1A1 (0.52) ALDH1A1ATML3MBTL1POLBTSHR
SCHEMBL3187767 0.75 TSHR (0.62) ALDH1A1POLBTSHRESR2KMT2A
SCHEMBL3188038 0.75 ALDH1A1 (0.54) ALDH1A1ATML3MBTL1POLBTSHR
SCHEMBL5922893 0.75 TSHR (0.62) ALDH1A1POLBTSHRESR2KMT2A

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 5 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
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 3191/4885HTR5A 3740/4885ATM 1135/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885HTR5A 3740/4885ATM 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.