SCHEMBL3628638

SCHEMBL3628638

CCC(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.51
PTGS2 P35354 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
TAAR1 Q96RJ0 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.46
CYP17A1 P05093 1/20 0.45

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
SCHEMBL16687011 1.00 GRIA4 (0.51) GRIA4PTGS2CHRNB2CHRNA4TAAR1
Hydrogen Peroxide SCHEMBL9344179 0.91 ALDH1A1 (0.53) GRIA4PTGS2ALDH1A1TSHRTRPA1
Hydrogen Peroxide SCHEMBL9339800 0.91 ALDH1A1 (0.53) GRIA4PTGS2ALDH1A1TSHRTRPA1
SCHEMBL9339775 0.91 ALDH1A1 (0.47) GRIA4ALDH1A1TSHR
SCHEMBL23542270 0.90 GRIA4 (0.45) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL17973751 0.90 GRIA4 (0.45) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL12299149 0.90 GRIA4 (0.45) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL12299141 0.89 GRIA4 (0.44) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL15887539 0.89 L3MBTL1 (0.47) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL15887535 0.89 L3MBTL1 (0.47) GRIA4PTGS2CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US claimed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
CN-1954456-A Nonaqueous electrolyte solution for lithium secondary battery UBE INDUSTRIES (JP) 2007-04-25 CN claimed
EP-0285280-B1 PROCESS FOR SELECTIVELY ALKYLATING BIPHENYL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-05-20 EP claimed
EP-0285280-A1 Process for selectively alkylating biphenyl KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-10-05 EP claimed
EP-3063154-B1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS UNIV ILLINOIS (US) 2023-08-30 EP disclosed
EP-3001475-B1 ORGANIC ELECTROLUMINESCENT ELEMENT MERCK PATENT GMBH (DE) 2022-11-16 EP disclosed
EP-3001474-B1 CHARGE-TRANSPORTING THIN FILM KONICA MINOLTA INC (JP) 2019-11-13 EP disclosed
US-10370393-B2 Stereoretentive cross-coupling of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-06 US disclosed
US-20180305381-A1 STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-25 US disclosed
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-09-11 US disclosed
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-4982037-A MORDENITE ZEOLITE CATALYST KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-01 US disclosed
EP-0056372-A4 SEC-BUTYLBIPHENYL COMPOSITION AND PROCESS FOR PREPARING THE SAME. KOCH IND INC (US) 1982-08-05 EP disclosed
EP-0056372-A1 SEC-BUTYLBIPHENYL COMPOSITION AND PROCESS FOR PREPARING THE SAME KOCH INDUSTRIES, INC. (US) 1982-07-28 EP disclosed
WO-1982000103-A1 SEC-BUTYLBIPHENYL COMPOSITION AND PROCESS FOR PREPARING THE SAME SUN OIL CO PENNSYLVANIA (US) 1982-01-21 WO disclosed
US-4287074-A WHEREIN 1-BUTENE OR 2-BUTENE IS REACTED WITH BIPHENYL IN THE PRESENCE OF A CATALYST CONTAINING COMPLEXED ALUMINUM TRICHLORIDE SUN OIL COMPANY OF PENNSYLVANIA (US) 1981-09-01 US disclosed
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 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 (3 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-10370393-B2 Stereoretentive cross-coupling of boronic acids NBAS, CNKSR1, REL GRIA4 1578/4885PTGS2 3244/4885CHRNB2 595/4885
US-20180305381-A1 STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS TACR1, TACR2, BRS3 GRIA4 175/4885PTGS2 4447/4885CHRNB2 1149/4885
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids BOLA2; BOLA2B, BLVRB, CD79B GRIA4 854/4885PTGS2 3577/4885CHRNB2 1642/4885

“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.