SCHEMBL4459158

SCHEMBL4459158

CCc1cccc(C(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.64
GABRB2 P47870 5/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
TSHR P16473 2/20 0.64
GABRB1 P18505 2/20 0.64
FAAH O00519 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2C P28335 1/20 0.64
GABRA5 P31644 1/20 0.64
GABRA3 P34903 1/20 0.64
HTR2B P41595 1/20 0.64
GABRA2 P47869 1/20 0.64

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
SCHEMBL920328 0.88 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL21734367 0.85 GABRA1 (0.67) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL10486191 0.84 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL31028132 0.84 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9204057 0.84 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL7066182 0.84 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL8409222 0.83 GABRA1 (0.53) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL2927393 0.83 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9162954 0.83 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL15253134 0.83 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 US disclosed
WO-2015157057-A1 MACROCYCLES LUMIPHORE, INC (US) 2015-10-15 WO disclosed
CN-104788303-A Method for synthesizing biphenyl diquinone derivative under catalysis of supported semiconductor NANJING UNIVERSITY OF TECHNOLOGY 2015-07-22 CN disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 WO disclosed
EP-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
CN-101115734-A Spiro derivatives as lipoxygenase inhibitors LILLY CO ELI (US) 2008-01-30 CN disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US disclosed
EP-0995737-B1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols HONSHU CHEMICAL IND (JP) 2003-06-04 EP disclosed
US-6284931-B1 REACTION OF 3,3,5-TRIMETHYLCYCLOHEXANONE AND PHENOL TO FORM DIPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-04 US disclosed
EP-0995737-A1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols Honshu Chemical Industry Co. Ltd. (JP) 2000-04-26 EP disclosed
US-5096949-A Heat and oxidation resistance, photostability; polyolefins; uv rad THE B. F. GOODRICH COMPANY (US) 1992-03-17 US disclosed
US-4920228-A N,N-disubstituted, α-(3,5-dialkyl-4-hydroxyphenyl)-α,α-disubstituted acetamides and composition stabilized therewith THE B. F. GOODRICH COMPANY (US) 1990-04-24 US disclosed
US-4780495-A HEAT, OXIDATION, AND LIGHT STABILIZERS THE B. F. GOODRICH COMPANY (US) 1988-10-25 US disclosed
US-4692555-A Preparation of diphenolics ETHYL CORPORATION (US) 1987-09-08 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-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 GABRA1 3299/4885GABRB2 2904/4885GABRG2 3930/4885
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 GABRA1 3804/4885GABRB2 3651/4885GABRG2 4275/4885

“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.