SCHEMBL647401

SCHEMBL647401

CC(C)Cc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 4/20 0.54
ENPP2 Q13822 1/20 0.54
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47

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
Acetic Acid SCHEMBL27428120 0.91 GRIA2 (0.54) OPRM1OPRD1OPRK1ENPP2GABRA1
Formic Acid SCHEMBL28226858 0.91 OPRM1 (0.47) OPRM1OPRD1OPRK1ENPP2GABRA1
Phenol SCHEMBL28329970 0.88 GABRA1 (0.48) OPRM1OPRD1OPRK1GABRA1GABRB2
SCHEMBL4531632 0.87 ALOX15 (0.55) OPRM1OPRD1OPRK1ENPP2CHRM2
Formic Acid Methyl Ester SCHEMBL28079835 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1ENPP2GABRA1
Acetic Acid Methyl Ester SCHEMBL27402893 0.86 SPR (0.48) OPRM1OPRD1OPRK1ENPP2GABRA1
Gepefrine SCHEMBL2562808 0.85 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP1A2
Gepefrine SCHEMBL149774 0.85 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP1A2
Gepefrine SCHEMBL30011768 0.85 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP1A2
SCHEMBL629959 0.85 CHRM2 (0.53) OPRM1OPRD1OPRK1ENPP2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276530-B Intermittent phosgene interface method preparation process and application of polycarbonate 广州市德力塑化工科技有限公司 2023-04-21 CN claimed
CN-114276530-A Intermittent phosgene interface method preparation process of polycarbonate and application thereof 深圳市德力塑化工科技有限公司 2022-04-05 CN claimed
CN-109021188-B Modified phenolic aldehyde amine polycondensate cement grinding aid, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2021-04-20 CN claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-8575239-B2 Curing composition and cured product prepared by using the same LG CHEM, LTD. (KR) 2013-11-05 US claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
WO-2013134756-A1 A METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN Vertichem Corporation (CA) 2013-09-12 WO claimed
CN-101910308-B Curing composition and cured product prepared by using the same LG CHEMICAL LTD 2012-11-21 CN claimed
JP-2011525198-A 2011-09-15 JP claimed
US-20100286302-A1 CURING COMPOSITION AND CURED PRODUCT PREPARED BY USING THE SAME SHANJIN OPTOELECTRONICS (SUZHOU) CO., LTD. (CN) 2010-11-11 US claimed
EP-2231781-A2 CURING COMPOSITION AND CURED PRODUCT PREPARED BY USING THE SAME LG Chem, Ltd. (KR) 2010-09-29 EP claimed
WO-2009084861-A2 CURING COMPOSITION AND CURED PRODUCT PREPARED BY USING THE SAME LG CHEM, LTD. (KR) 2009-07-09 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-20050165104-A1 Biocidal agents and veterinary methods HOLWERDA COMMUNITY TRUST 2005-07-28 US claimed
US-5322919-A Transesterification in an inert solvent IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-06-21 US claimed
US-4242277-A STABILIZATION OF NITROUS ACID BY AN ORGANIC ACID AND ANOTHER ACID TO OBTAIN BENZOQUINONE OXIMES MITSUBISHI PETROCHEMICAL COMPANY, LIMITED (JP) 1980-12-30 US claimed
US-4013565-A MEMBRANES RHONE-POULENC S.A. (FR) 1977-03-22 US claimed
US-3968173-A ALUMINUM SILICATE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN DCXR, AGL, GLO1 OPRM1 4092/4885OPRD1 4021/4885OPRK1 3754/4885
US-20050165104-A1 Biocidal agents and veterinary methods BCHE, ACHE, MME OPRM1 2831/4885OPRD1 2880/4885OPRK1 4086/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS OPRM1 766/4885OPRD1 882/4885OPRK1 747/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 OPRM1 3280/4885OPRD1 2702/4885OPRK1 3271/4885

“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.