SCHEMBL63455

SCHEMBL63455

CC1OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM5 P08912 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
OPRL1 P41146 2/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
MAOB P27338 4/20 0.34
MAOA P21397 3/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6129709 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
Terephthalic Acid SCHEMBL7901428 0.84 TSHR (0.46)
Propylene Glycol SCHEMBL10865600 0.82 TDP1 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL3471203 0.78 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL2763761 0.77 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL28366383 0.77 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL2763759 0.77 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL10362472 0.77 SLC6A3 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3971547 0.75 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL7108506 0.75 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011003898-A1 TONER RESINS FOR ELECTRONIC COPYING PURPOSES BASF SE (DE) 2011-01-13 WO claimed
US-20220202744-A1 METHODS OF TREATING MENTAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
WO-2021039585-A1 POLARIZATION FILM LAMINATE PROVIDED WITH ADHESIVE LAYER, AND OPTICAL DISPLAY PANEL IN WHICH POLARIZATION FILM LAMINATE PROVIDED WITH ADHESIVE LAYER IS USED 日東電工株式会社 2021-03-04 WO disclosed
WO-2021039583-A1 POLARIZING FILM LAMINATE WITH ADHESIVE LAYER AND OPTICAL DISPLAY PANEL IN WHICH SAID POLARIZING FILM LAMINATE WITH ADHESIVE LAYER IS USED 日東電工株式会社 2021-03-04 WO disclosed
US-10696845-B2 Energy-sensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-30 US disclosed
EP-3275940-B1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2019-12-18 EP disclosed
US-20190225804-A1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2019-07-25 US disclosed
US-10322118-B2 Compounds and methods for inhibiting Cif virulence factor TRUSTEES OF DARTMOUTH COLLEGE (US) 2019-06-18 US disclosed
EP-3275940-A1 ENERGY-SENSITIVE RESIN COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2018-01-31 EP disclosed
EP-2528604-B1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2017-11-22 EP disclosed
US-5714294-A A SHELL-CORE CROSSLINKED COPOLYMER PARTICLES COMPRISING A VINYL MONOMER AND AN ACRYLIC ACID ESTER AND/OR METHACRYLIC ACID ESTER OR DIENE MONOMERS; FIXABLE AT LOW TEMPERATURE, IMPACT STRENGTH, STABILITY, DURABILITY KAO CORPORATION (JP) 1998-02-03 US disclosed
EP-0794230-A2 Curable composition based on silyl-functionalized polyethers and epoxy resins Kaneka Corporation (JP) 1997-09-10 EP disclosed
US-5068248-A Analgesics, antipyretics and antiinflammatory agents MERCK & CO., INC. (US) 1991-11-26 US disclosed
EP-0160408-B1 BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-08-23 EP disclosed
US-4760086-A N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0160408-A1 Benzothiophenes, their production and use, and compositions containing them MERCK & CO. INC. (US) 1985-11-06 EP disclosed
US-4186255-A POLYURETHANE CATALYST TEXACO DEVELOPMENT CORPORATION (US) 1980-01-29 US disclosed
US-4136240-A METALLIC QUATERNARY AMMONIUM CARBOXYLATES AS POLYISOCYANURATE CATALYSTS TEXACO DEVELOPMENT CORPORATION (US) 1979-01-23 US disclosed
US-4075130-A DIAMINES, TRIAMINES TEXACO DEVELOPMENT CORPORATION (US) 1978-02-21 US disclosed
US-4060501-A Novolak derivatives as defoamers TEXACO DEVELOPMENT CORPORATION (US) 1977-11-29 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 (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-20220202744-A1 METHODS OF TREATING MENTAL DISORDERS FAAH, EPHX1, FAAH2 CHRM2 508/4885CHRM4 306/4885CHRM1 529/4885
US-10322118-B2 Compounds and methods for inhibiting Cif virulence factor CFTR, NCF1, CFB CHRM2 4245/4885CHRM4 3832/4885CHRM1 4293/4885

“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.