SCHEMBL487527

SCHEMBL487527

CC(C)c1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.58
HSD17B2 P37059 7/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 2/20 0.58
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
CYP17A1 P05093 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MDM4 O15151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TYR P14679 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50

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
Phenol SCHEMBL11793173 0.88 RXRA (0.62) HSD17B1HSD17B2CYP3A4CYP2C9RXRA
SCHEMBL29426960 0.87 ADRB1 (0.61) CYP3A4CYP2C9RXRARXRBRXRG
SCHEMBL51528 0.87 ADRB1 (0.61) CYP3A4CYP2C9RXRARXRBRXRG
SCHEMBL5352034 0.87 RXRA (0.62) CYP3A4RXRARXRBRXRGKDM4E
SCHEMBL10022337 0.86 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9RXRA
SCHEMBL1513546 0.86 RXRA (0.64) HSD17B1HSD17B2CYP3A4CYP2C9RXRA
SCHEMBL29020581 0.85 ADRB1 (0.55) HSD17B1HSD17B2CYP3A4CYP2C9RXRA
SCHEMBL6351865 0.85 ADRB1 (0.59) CYP3A4CYP2C9RXRARXRBRXRG
Hydrogen Peroxide SCHEMBL11040445 0.85 ADRB1 (0.59) CYP3A4RXRARXRBRXRGESR1
SCHEMBL28741659 0.85 ADRB1 (0.59) CYP3A4CYP2C9RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2013-12-19 US disclosed
US-8541532-B2 Silane compound, production method thereof, and resin composition containing silane compound NIPPON SHOKUBAI CO., LTD. (JP) 2013-09-24 US disclosed
EP-2180019-B1 Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND (JP) 2012-02-01 EP disclosed
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed
US-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD (JP) 2010-12-16 US disclosed
US-7723407-B2 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2010-05-25 US disclosed
EP-2180019-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2010-04-28 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-20090010603-A1 Resin Composition for Optical Packaging Material and Process for Preparing the Same, and Optical Packaging Material, Optical Packaging Component, and Optical Module NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-08 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 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-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND PIEZO1, ORAI2, ARID2 HSD17B1 1356/4885HSD17B2 981/4885CYP3A4 2176/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 HSD17B1 1519/4885HSD17B2 1089/4885CYP3A4 1777/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 HSD17B1 1084/4885HSD17B2 1145/4885CYP3A4 424/4885

“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.