SCHEMBL339679

SCHEMBL339679

CC(C)c1cc(C(C)C)c(Br)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
FABP4 P15090 5/20 0.48
FABP3 P05413 2/20 0.48
FABP5 Q01469 1/20 0.46
GABRB1 P18505 3/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SOAT2 O75908 1/20 0.31
MYC P01106 1/20 0.31
SOAT1 P35610 1/20 0.31
MAP2K3 P46734 1/20 0.31
LMNA P02545 1/20 0.31
HDAC1 Q13547 1/20 0.30
GAA P10253 1/20 0.30
ROCK2 O75116 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
SCHEMBL7764283 0.97 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL8169296 0.97 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20681258 0.80 GABRA1 (0.64) GABRA1GABRB2FABP4FABP3GABRB1
SCHEMBL11399190 0.79 GABRA1 (0.42) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL14156687 0.79 GABRA1 (0.38) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL31517134 0.78 GABRA1 (0.42) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL3440745 0.78 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28454010 0.76 GABRA1 (0.58) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL19507083 0.76 GABRA1 (0.58) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL4712954 0.76 GABRA1 (0.52) GABRA1GABRB2GABRB1CA1CA2

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 203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219455-A Aromatic ring hydrogen-deuterium exchange reaction catalytic system and preparation method of deuterated aromatic hydrocarbon 国科大杭州高等研究院 2024-12-31 CN claimed
US-20240254150-A1 CONFORMATIONALLY RESTRICTED SULFONATE BASED PHOSPHINE LIGANDS FOR HINDERED SUZUKI COUPLING REACTIONS TCG GreenChem Inc. (US) 2024-08-01 US claimed
CN-116354786-A Bowl-shaped acene compound, preparation and application 北京化工大学 2023-06-30 CN claimed
CN-105273006-A Method for preparing 2-dicyclohexylphosphine-2,4,6-di-iso-propylbiphenyl PANJIN GELIN KAIMO TECHNOLOGY CO LTD 2016-01-27 CN claimed
US-20260148808-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING MERCK PATENT GMBH (DE) 2026-05-28 US disclosed
US-20250313662-A1 IRON-CATALYZED METATHESIS POLYMERIZATION OF OLEFINS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-10-09 US disclosed
EP-4605941-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING Merck Patent GmbH (DE) 2025-08-27 EP disclosed
US-20250215035-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-07-03 US disclosed
US-20250188106-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-06-12 US disclosed
CN-119409551-B Continuous synthesis method and device for m-terphenyl compound 广东工业大学 2025-04-18 CN disclosed
WO-2025067247-A1 PREPARATION METHOD FOR ON-DNA AROMATIC COMPOUND, AND APPLICATION OF PREPARATION METHOD 深圳晶泰科技有限公司 2025-04-03 WO disclosed
CN-119409551-A Continuous synthesis method and device for m-terphenyl compound 广东工业大学 2025-02-11 CN disclosed
WO-2000002834-A1 ASYMMETRIC METATHESIS REACTIONS INVOLVING ACHIRAL AND MESO SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
EP-0698010-B1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER LAMBERT CO (US) 1999-04-14 EP disclosed
US-5686233-A PHOTOGRAPHIC FILM STABILIZER CIBA-GEIGY CORPORATION (US) 1997-11-11 US disclosed
US-5633287-A N-acyl sulfamic acid esters (or thioesters), N-acyl sulfonamides, and n-sulfonyl carbamic acid esters (or thioesters) as hypercholesterolemic agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
CN-1132747-A Bisresorcinyltriazines CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed
US-5491172-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed
WO-1994026702-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-11-24 WO 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 (5 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-20240254150-A1 CONFORMATIONALLY RESTRICTED SULFONATE BASED PHOSPHINE LIGANDS FOR HINDERED SUZUKI COUPLING REACTIONS STS, PTPRS, PFKFB1 GABRA1 1170/4885GABRB2 1347/4885FABP4 2094/4885
US-20260148808-A1 SYSTEM AND METHOD FOR OPTIMIZING CHEMICAL REACTIONS USING MACHINE LEARNING KIT, ALK, ACHE GABRA1 2960/4885GABRB2 4045/4885FABP4 4156/4885
US-20250313662-A1 IRON-CATALYZED METATHESIS POLYMERIZATION OF OLEFINS PPOX, HMOX1, HMOX2 GABRA1 4480/4885GABRB2 4349/4885FABP4 3602/4885
US-20250188106-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME NDC1, NUDC, PAICS GABRA1 2130/4885GABRB2 3248/4885FABP4 4848/4885
US-20250215035-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OSBP, OCIAD2 GABRA1 3317/4885GABRB2 3324/4885FABP4 55/4885

“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.