SCHEMBL7764602

SCHEMBL7764602

CC(C)(C)c1cc(C(C)(C)C)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
SCHEMBL3969052 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 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 (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-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA GABRA1 1980/4885GABRB2 2144/4885POLB 4767/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA GABRA1 1893/4885GABRB2 2158/4885POLB 4784/4885

“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.