SCHEMBL7540249

SCHEMBL7540249

CC(C)C(CCl)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.30

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
SCHEMBL19275136 0.67
SCHEMBL8431274 0.65 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL7875815 0.65
SCHEMBL29344280 0.62
SCHEMBL7541032 0.61 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1630402 0.61 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3689919 0.61 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1
SCHEMBL2507552 0.61 TSHR (0.38) ALDH1A1TSHR
Isobutane SCHEMBL25273675 0.57
Methylene Chloride SCHEMBL5375622 0.57

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-20020010371-A1 Process for preparing a cyclic amino acid anticonvulsant compound DEERING CARL FRANCIS (US) 2002-01-24 US claimed
US-6294690-B1 REACTING BENZONITRILE WITH ALKALI METAL IN AMMONIA OR AMINE IN SOLVENT TO FORM ANIONIC INTERMEDIATE, ALKYLATING WITH HALOACETIC ACID, HYDROGENATING RING, HYDROGENATING NITRILE TO AMINE TO PRODUCE GABAPENTIN WARNER-LAMBERT COMPANY 2001-09-25 US claimed
WO-1999018063-A2 PROCESS FOR PREPARING A CYCLIC AMINO ACID ANTICONVULSANT COMPOUND WARNER-LAMBERT COMPANY (US) 1999-04-15 WO 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 (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-20020010371-A1 Process for preparing a cyclic amino acid anticonvulsant compound BCAT1, BCAT2, GABRA6 ALDH1A1 2115/4885TSHR 2643/4885MAPK1 1986/4885

“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.