SCHEMBL2592603

SCHEMBL2592603

C#Cc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ FABP4 P15090 3/20 0.43
▸ FABP3 P05413 2/20 0.43
▸ FABP5 Q01469 1/20 0.42
▸ GABRB1 P18505 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL28926577 0.76 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3304566 0.76 FABP4 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL2588899 0.73 GABRA1 (0.48) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL15345779 0.70 CYP1A1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9369688 0.69 FABP4 (0.56) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9064395 0.69 GABRA1 (0.52) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3079552 0.69 GABRA1 (0.52) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL15329461 0.67 APP (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3843896 0.67 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL140258 0.67 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050329-A Gold nanocluster and preparation method thereof 闽江师范高等专科学校 2023-11-14 — — CN claimed
CN-117050329-A Gold nanocluster and preparation method thereof 闽江师范高等专科学校 2023-11-14 — — CN disclosed
CN-117050329-A Gold nanocluster and preparation method thereof 闽江师范高等专科学校 2023-11-14 — — CN disclosed
US-9403781-B2 Crystalline 1H-1,2,3-triazol-5-ylidenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 — — US disclosed
US-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 — — US disclosed
WO-2011139704-A2 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — WO disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 — — US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 — — 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-20130197178-A1 CRYSTALLINE 1H-1,2,3-TRIAZOL-5-YLIDENES TCP1, CCT3, CCT2 GABRA1 4399/4885GABRB2 4704/4885FABP4 4800/4885

“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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