SCHEMBL3199137

SCHEMBL3199137

Cc1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)ccc1Br

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRIP13 Q15645 1/20 0.49
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3199143 1.00 TSHR (0.71) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL3190875 0.88 TSHR (0.69) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL5922813 0.88 TSHR (0.69) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL13483800 0.88 TSHR (0.69) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL3191334 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL3191328 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL13483317 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL3191324 0.86 TSHR (0.70) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL13483363 0.84 TSHR (0.64) TSHRALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL3187473 0.84 TSHR (0.64) TSHRALDH1A1CYP3A4CYP2C19NPSR1

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 2 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 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 (1 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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885ALDH1A1 3191/4885CYP3A4 1124/4885

“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.