SCHEMBL3969052

SCHEMBL3969052

CC(C)(C)c1cc(C(C)(C)O)cc(C(C)(C)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.60
GABRB2 P47870 1/20 0.60
POLB P06746 1/20 0.42
RXRB P28702 5/20 0.40
RXRA P19793 4/20 0.40
RXRG P48443 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1D P28221 2/20 0.37
HTR1B P28222 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7764602 1.00 GABRA1 (0.60) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL548187 0.90 GABRA1 (0.45) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL15726901 0.89 GABRA1 (0.50) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL23113536 0.87 GABRA1 (0.48) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL20933032 0.87 GABRA1 (0.48) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL27358210 0.87 GABRA1 (0.48) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL18077869 0.87 GABRA1 (0.48) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL13278178 0.87 GABRA1 (0.48) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL16259555 0.83 GABRA1 (0.44) GABRA1GABRB2POLBRXRBRXRA
SCHEMBL15132423 0.83 GABRA1 (0.44) GABRA1GABRB2POLBRXRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013112585-A1 SYNTHETIC METHODS PERTAINING TO TERT-BUTYL-BENZENE-BASED COMPOUNDS BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-08-01 WO claimed
US-20130190525-A1 SYNTHETIC METHODS PERTAINING TO TERT-BUTYL-BENZENE-BASED COMPOUNDS BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-07-25 US claimed
EP-1553072-B1 METHOD FOR PRODUCING CHLORINATED HYDROCARBON HAVING CHLORINATED TERTIARY CARBON KANEKA CORP (JP) 2009-03-11 EP claimed
US-7304192-B2 Method for producing chlorinated hydrocarbon having chlorinated tertiary carbon KANEKA CORPORATION (JP) 2007-12-04 US claimed
US-9874816-B2 Radiation-sensitive resin composition and resist pattern-forming method JSR CORPORATION (JP) 2018-01-23 US disclosed
US-20170363961-A9 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2017-12-21 US disclosed
US-20160202608-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2016-07-14 US disclosed
US-8889926-B2 Method for the synthesis of low cost initiators for telechelic polyisobutylenes THE UNIVERSITY OF AKRON (US) 2014-11-18 US disclosed
US-8889926-B2 Method for the synthesis of low cost initiators for telechelic polyisobutylenes THE UNIVERSITY OF AKRON (US) 2014-11-18 US disclosed
US-20140235905-A1 METHOD FOR THE SYNTHESIS OF LOW COST INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2014-08-21 US disclosed
US-20140235905-A1 METHOD FOR THE SYNTHESIS OF LOW COST INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2014-08-21 US disclosed
US-8697119-B2 Medical devices and materials containing isobutylene copolymer BOSTON SCIENTIFIC SCIMED, INC. (US) 2014-04-15 US disclosed
US-20110213084-A1 POLYMERS HAVING BOTH HARD AND SOFT SEGMENTS, AND PROCESS FOR MAKING SAME THE UNIVERSITY OF AKRON (US) 2011-09-01 US disclosed
EP-1848769-A1 MEDICAL DEVICES AND MATERIALS CONTAINING ISOBUTYLENE COPOLYMER Boston Scientific Limited (BB) 2007-10-31 EP disclosed
WO-2006020274-A1 MEDICAL DEVICES AND MATERIALS CONTAINING ISOBUTYLENE COPOLYMER BOSTON SCIENTIFIC SCIMED, INC. (US) 2006-02-23 WO disclosed
US-20060013867-A1 Medical devices and materials containing isobutylene copolymer BOSTON SCIENTIFIC SCIMED, INC. 2006-01-19 US disclosed
EP-1553072-A1 METHOD FOR PRODUCING CHLORINATED HYDROCARBON HAVING CHLORINATED TERTIARY CARBON KANEKA CORPORATION (JP) 2005-07-13 EP disclosed
EP-0468041-A4 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF 1992-07-22 EP disclosed
EP-0468041-A1 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF The University of Akron (US) 1992-01-29 EP disclosed
WO-1991012281-A1 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF THE UNIVERSITY OF AKRON (US) 1991-08-22 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 (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-20130190525-A1 SYNTHETIC METHODS PERTAINING TO TERT-BUTYL-BENZENE-BASED COMPOUNDS TERT, HMBS, BET1 GABRA1 598/4885GABRB2 415/4885POLB 36/4885
US-20060013867-A1 Medical devices and materials containing isobutylene copolymer ABCB1, HMGB2, HMGB3 GABRA1 931/4885GABRB2 489/4885POLB 252/4885
US-20140235905-A1 METHOD FOR THE SYNTHESIS OF LOW COST INITIATORS FOR TELECHELIC POLYISOBUTYLENES TERT, TBCB, CAT GABRA1 1456/4885GABRB2 606/4885POLB 32/4885

“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.