SCHEMBL3187253

SCHEMBL3187253

O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
ALDH1A1 P00352 7/20 0.55
TRIP13 Q15645 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 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
SCHEMBL3187244 1.00 ATM (0.58) ATMALDH1A1TRIP13SMN1; SMN2MEN1
SCHEMBL26083602 0.84 ALDH1A1 (0.50) ATMALDH1A1TRIP13SMN1; SMN2MEN1
SCHEMBL26109334 0.84 ALDH1A1 (0.50) ATMALDH1A1TRIP13SMN1; SMN2MEN1
SCHEMBL3192393 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3190222 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3190214 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3192400 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3190209 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13483329 0.84 TSHR (0.42) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3186419 0.82 ALDH1A1 (0.62) ATMALDH1A1TRIP13MEN1KMT2A

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 ATM 1135/4885ALDH1A1 3191/4885TRIP13 1308/4885

“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.