SCHEMBL3079552

SCHEMBL3079552

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 2/20 0.52
FABP4 P15090 5/20 0.50
FABP3 P05413 2/20 0.50
FABP5 Q01469 1/20 0.48
LMNA P02545 4/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPA1 O75762 2/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
GABRB1 P18505 3/20 0.33

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
SCHEMBL9064418 0.87 GABRA1 (0.46) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20285914 0.83 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL27480380 0.82 FABP4 (0.60) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL25958539 0.79 GABRA1 (0.41) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20636510 0.79 LMNA (0.42) GABRA1GABRB2FABP4FABP3LMNA
SCHEMBL23191826 0.77 GABRA1 (0.35) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9064395 0.77 GABRA1 (0.52) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9369688 0.77 FABP4 (0.56) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL19006936 0.75 GABRA1 (0.37) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20634961 0.74 CA1 (0.35) GABRA1GABRB2LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502002-B2 Microscope immersion oil IDEMITSU KOSAN CO., LTD. (JP) 2013-08-06 US claimed
US-5807846-A TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-4728632-A ODORLESS KOCH INDUSTRIES, INC. (US) 1988-03-01 US claimed
EP-0235901-A1 Solutions and their use in carbonless paper KOCH INDUSTRIES, INC. (US) 1987-09-09 EP claimed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US claimed
US-3969420-A Process for recovering resorcinol and hydroquinone in mixture SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-13 US claimed
EP-3988557-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-22 EP disclosed
EP-4198164-A1 MIXED LAYER, METHOD OF PREPARING THE MIXED LAYER, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS Samsung Electronics Co., Ltd. (KR) 2023-06-21 EP disclosed
US-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-25 US disclosed
CN-110072933-B Tire comprising a polyindane resin and use thereof 伊士曼化工公司 2022-04-05 CN disclosed
US-20210376261-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-12-02 US disclosed
CN-110072962-B Adhesive comprising a polyindane resin 伊士曼化工公司 2021-10-19 CN disclosed
WO-2021181157-A1 TREATMENT OF CORONAVIRUS INFECTION REDHILL BIOPHARMA LTD. (IL) 2021-09-16 WO disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4347398-A Process for preparation of 1-methyl-3,5-diisopropyl benzene TEXACO INC. (US) 1982-08-31 US disclosed
US-4314091-A Preparation of 1-methyl-3,5-diisopropyl benzene from charge streams containing diisopropyl toluene TEXACO INC. (US) 1982-02-02 US disclosed
US-4297508-A BY REACTING CARBON DIOXIDE WITH B-NAPHTHOL, AN ALKALI METAL SALT OF B-NAPHTHOL, AND AN ALKYLBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
US-3993690-A Method of obtaining aromatic tri-or-tetracarboxylic acids SUVOROV BORIS VIKTOROVICH 1976-11-23 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 (2 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-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, TPO GABRA1 4480/4885GABRB2 4277/4885FABP4 638/4885
US-20210376261-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, TPO GABRA1 4480/4885GABRB2 4277/4885FABP4 638/4885

“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.