SCHEMBL3046900

SCHEMBL3046900

C=CCC(CCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR2A P28223 2/20 0.35
ASAH1 Q13510 1/20 0.35
LMNA P02545 1/20 0.34
HRH1 P35367 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
SCHEMBL17183790 0.95 CYP2C19 (0.42) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL17183754 0.93 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL8755764 0.93 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL17183823 0.93 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL17183670 0.93 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL17183748 0.93 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1SIGMAR1OPRM1
SCHEMBL4354928 0.89 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL17183704 0.84 TSHR (0.43) CYP2C19POLBALDH1A1KDM4EMAPT
SCHEMBL17183788 0.84 TSHR (0.39) CYP2C19POLBALDH1A1KDM4EMAPT
SCHEMBL17183792 0.83 TSHR (0.44) CYP2C19POLBALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423275-A Olefin conversion ETHYL CORPORATION (US) 1983-12-27 US claimed
US-4291187-A USING A RHENIUM OR TUNGSTEN CARBENE CATALYST COMPLEX PHILLIPS PETROLEUM COMPANY (US) 1981-09-22 US claimed
US-4262156-A NEUTRAL METAL CARBENE CATALYST, HALOGENATED AND TIN PROMOTERS PHILLIPS PETROLEUM CO. (US) 1981-04-14 US claimed
US-11492432-B2 Resin for nanoimprinting, laminate containing resin for nanoimprinting, printed board containing resin for nanoimprinting, and method for producing nanoimprint substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-11-08 US disclosed
US-11078381-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-08-03 US disclosed
US-11015010-B2 Block copolymer comprising catechol segment and inorganic nanoparticles coated by said block copolymer, as well as method for producing block copolymer comprising catechol segment and method for producing inorganic nanoparticles coated by said block copolymer JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-05-25 US disclosed
US-10851237-B2 Block copolymer, multilayered structure, solid polymer membrane, fuel cell, method for producing multilayered structure, and method for producing multilayered structure including inorganic nanoparticles JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-12-01 US disclosed
EP-3305866-B1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL JAPAN SCIENCE & TECH AGENCY (JP) 2020-07-29 EP disclosed
US-20200223125-A1 RESIN FOR NANOIMPRINTING, LAMINATE CONTAINING RESIN FOR NANOIMPRINTING, PRINTED BOARD CONTAINING RESIN FOR NANOIMPRINTING, AND METHOD FOR PRODUCING NANOIMPRINT SUBSTRATE JAPAN SCIENCE & TECH AGENCY (JP) 2020-07-16 US disclosed
US-20200190362-A1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL JAPAN SCIENCE & TECH AGENCY (JP) 2020-06-18 US disclosed
US-10611927-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-04-07 US disclosed
EP-0057736-B1 OLEFIN DISPROPORTIONATION PROCESS AND CATALYST PHILLIPS PETROLEUM COMPANY (US) 1986-11-20 EP disclosed
US-4423275-A Olefin conversion ETHYL CORPORATION (US) 1983-12-27 US disclosed
EP-0057736-A1 Olefin disproportionation process and catalyst PHILLIPS PETROLEUM COMPANY (US) 1982-08-18 EP disclosed
US-4331559-A Olefin disproportionation PHILLIPS PETROLEUM COMPANY (US) 1982-05-25 US disclosed
US-4291187-A USING A RHENIUM OR TUNGSTEN CARBENE CATALYST COMPLEX PHILLIPS PETROLEUM COMPANY (US) 1981-09-22 US disclosed
US-4269780-A CATALYSTS COMPRISING CARBENE METAL COMPLEXES AND METAL HALIDES AND OXYHALIDES AS ACTIVATORS; POLYMERIZATION INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1981-05-26 US disclosed
US-4262156-A NEUTRAL METAL CARBENE CATALYST, HALOGENATED AND TIN PROMOTERS PHILLIPS PETROLEUM CO. (US) 1981-04-14 US disclosed
US-4248738-A COMPRISING A TUNGSTEN COMPLEX, A HALOGENATED PROMOTER AND A TIN PROMOTER PHILLIPS PETROLEUM COMPANY (US) 1981-02-03 US disclosed
US-4247417-A NEUTRAL TUNGSTEN OR RHENIUM CARBENE COMPLEX, CHLORO- OR BROMOCHLOROHYDROCARBON PHILLIPS PETROLEUM COMPANY (US) 1981-01-27 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-20200190362-A1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL CDH1, CD44, COMT CYP2C19 2923/4885SMN1; SMN2 4621/4885POLB 3225/4885
US-11078381-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel CDH1, CD44, COMT CYP2C19 2923/4885SMN1; SMN2 4621/4885POLB 3225/4885
US-10611927-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel CDH1, CD44, COMT CYP2C19 2923/4885SMN1; SMN2 4621/4885POLB 3225/4885

“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.