SCHEMBL629959

SCHEMBL629959

CC(O)Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
ENPP2 Q13822 1/20 0.52
OPRM1 P35372 3/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
ADRB1 P08588 1/20 0.48
MIF P14174 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 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
SCHEMBL19354447 1.00 CHRM2 (0.53) CHRM2CHRM1CHRM3ENPP2OPRM1
SCHEMBL27479318 0.98 CHRM2 (0.52) CHRM2CHRM1CHRM3ENPP2OPRM1
SCHEMBL2965194 0.87 PNMT (0.47) CHRM1OPRK1HTR2AADRA1AHTR2B
SCHEMBL4531632 0.85 ALOX15 (0.55) CHRM2CHRM1CHRM3ENPP2OPRM1
SCHEMBL647401 0.85 OPRM1 (0.54) CHRM2CHRM1CHRM3ENPP2OPRM1
SCHEMBL19342844 0.84 ADRB1 (0.50) CHRM2CHRM1CHRM3ENPP2OPRM1
Gepefrine SCHEMBL2562808 0.83 TAAR1 (0.61) ENPP2ADRB1MIFHTR2AADRA1A
Gepefrine SCHEMBL149774 0.83 TAAR1 (0.61) ENPP2ADRB1MIFHTR2AADRA1A
Gepefrine SCHEMBL30011768 0.83 TAAR1 (0.61) ENPP2ADRB1MIFHTR2AADRA1A
Gepefrine SCHEMBL265538 0.83 TAAR1 (0.61) ENPP2ADRB1MIFHTR2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113786287-B Paper diaper and preparation method thereof 福建恒安集团有限公司 2022-07-05 CN claimed
CN-113786287-A Paper diaper and preparation method thereof 福建恒安集团有限公司 2021-12-14 CN claimed
EP-1023263-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 2002-06-12 EP claimed
EP-0327361-B1 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND METHOD OF PRODUCING RESORCINOL USING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-17 EP claimed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP claimed
US-4755188-A Aqueous composition for oxidative hair coloring containing developer-coupler combination with substituted phenol coupler WELLA AKTIENGESELLSCHAFT (DE) 1988-07-05 US claimed
JP-1199926-A None JP disclosed
CN-113786287-B Paper diaper and preparation method thereof 福建恒安集团有限公司 2022-07-05 CN disclosed
CN-113786287-A Paper diaper and preparation method thereof 福建恒安集团有限公司 2021-12-14 CN disclosed
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VIDASYM, LLC 2018-11-15 US disclosed
EP-2419403-B1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM INC (US) 2016-09-07 EP disclosed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 US disclosed
EP-2419403-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF Vidasym, Llc (US) 2012-02-22 EP disclosed
US-5030767-A Decomposition, solvent, inorganic acid or arenesulfonic acid as catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-07-09 US disclosed
US-5030767-A Decomposition, solvent, inorganic acid or arenesulfonic acid as catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-07-09 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
JP-H01199926-A 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND PREPARATION OF RESORCINOL FROM SAID COMPOUND MITSUI PETROCHEM IND LTD 1989-08-11 JP disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 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 (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-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VDR, CYP2R1, CYP24A1 CHRM2 957/4885CHRM1 1081/4885CHRM3 1445/4885
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VDR, CYP2R1, CYP24A1 CHRM2 1705/4885CHRM1 1912/4885CHRM3 2939/4885

“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.