SCHEMBL7763323

SCHEMBL7763323

CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
POLB P06746 1/20 0.48
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1D P28221 2/20 0.36
RXRB P28702 5/20 0.35
RXRA P19793 4/20 0.35
RXRG P48443 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1B P28222 1/20 0.32

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
SCHEMBL45260 1.00 GABRA1 (0.52) GABRA1GABRB2POLBGAAMAPT
SCHEMBL45290 0.90 GABRA1 (0.38) GABRA1GABRB2POLBTSHR
SCHEMBL3683051 0.85 GABRA1 (0.41) GABRA1GABRB2POLBGAAMAPT
SCHEMBL93161 0.83 GABRA1 (0.69) GABRA1GABRB2POLBGAAMAPT
SCHEMBL14347036 0.81 RXRB (0.35) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10394690 0.79 GABRA1 (0.65) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10415675 0.79 GABRA1 (0.65) GABRA1GABRB2POLBGAAMAPT
SCHEMBL7203013 0.78 HDAC8 (0.47) GABRA1GABRB2GAAMAPTRXRB
SCHEMBL10537131 0.76 GABRA1 (0.42) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10183607 0.75 GABRA1 (0.52) GABRA1GABRB2POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675153-B1 Process for the preparation of star-shaped polymers SHELL INT RESEARCH (NL) 2001-06-13 EP claimed
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US claimed
US-9394390-B2 Coumarin-functionalized polyolefin and associated cyclodimerization products, preparation methods, and electronic devices THE UNIVERSITY OF MASSACHUSETTS (US) 2016-07-19 US disclosed
US-20160008607-A1 POLYMERIC FEED-THRU FOR CHRONIC IMPLANTABLE DEVICES CARDIAC PACEMAKERS, INC. 2016-01-14 US disclosed
US-20150361195-A1 COUMARIN-FUNCTIONALIZED POLYOLEFIN AND ASSOCIATED CYCLODIMERIZATION PRODUCTS, PREPARATION METHODS, AND ELECTRONIC DEVICES THE UNIVERSITY OF MASSACHUSETTS 2015-12-17 US disclosed
US-20130190525-A1 SYNTHETIC METHODS PERTAINING TO TERT-BUTYL-BENZENE-BASED COMPOUNDS BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-07-25 US disclosed
EP-0675153-B1 Process for the preparation of star-shaped polymers SHELL INT RESEARCH (NL) 2001-06-13 EP disclosed
EP-1099717-A2 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-05-16 EP disclosed
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US disclosed
EP-0675153-A1 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-10-04 EP 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-20130190525-A1 SYNTHETIC METHODS PERTAINING TO TERT-BUTYL-BENZENE-BASED COMPOUNDS TERT, HMBS, BET1 GABRA1 598/4885GABRB2 415/4885POLB 36/4885

“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.