SCHEMBL4354928

SCHEMBL4354928

C=CCC(CCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
AOC3 Q16853 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 1/20 0.36
OPRD1 P41143 1/20 0.36
RIPK1 Q13546 1/20 0.35
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3046900 0.89 CYP2C19 (0.43) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL17183790 0.87 CYP2C19 (0.42) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL17183754 0.86 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL17183670 0.86 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL17183748 0.86 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL8755764 0.86 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL17183823 0.86 CYP2C19 (0.41) CYP2C19SMN1; SMN2ALDH1A1OPRD1HTR2A
SCHEMBL2133730 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4901936 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9003499 0.83 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20190169420-A1 BLOCK COPOLYMER, MULTILAYER STRUCTURE, SOLID POLYMER FILM, FUEL CELL, PRODUCTION METHOD FOR MULTILAYER STRUCTURE, AND PRODUCTION METHOD FOR MULTILAYER STRUCTURE CONTAINING INORGANIC NANOPARTICLES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-06-06 US disclosed
US-20180118978-A1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-05-03 US disclosed
EP-3305866-A1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL Japan Science And Technology Agency (JP) 2018-04-11 EP disclosed
CN-1208050-A Olefin thermoplastic elastomer composition MITSUI CHEMICALS INC (JP) 1999-02-17 CN disclosed
EP-0893245-A1 VULCANIZED MOLDING HAVING SURFACE DECORATIVE LAYER, PAINTED THERMOPLASTIC RESIN COMPOSITION, AND PAINTED ELASTOMER COMPOSITION Mitsui Chemicals, Inc. (JP) 1999-01-27 EP disclosed
CN-1206026-A Unsaturated elastomer compositions and their vulcanized MITSUI CHEMICALS INC (JP) 1999-01-27 CN disclosed
EP-0892013-A1 Unsaturated elastomer compositions and their vulcanized rubbers Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0892014-A1 Olefin thermoplastic elastomer composition Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0634427-B1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI CHEMICALS INC (JP) 1998-05-20 EP disclosed
US-5430117-A Nonconjugated diene-vinyl aromatic-α-olefin interpolymers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-07-04 US disclosed
EP-0634427-A1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 EP disclosed
US-4344966-A Anti-inflammatory 1-alkyl-1-phenyl-butanes SANDOZ, INC. (US) 1982-08-17 US disclosed
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 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 (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-20180118978-A1 CATECHOL-CONTAINING ADHESIVE HYDROGEL, COMPOSITION FOR PREPARING ADHESIVE HYDROGEL, AND COMPOSITIONS EACH INCLUDING SAID ADHESIVE HYDROGEL CDH1, CD44, COMT CYP2C19 2923/4885SMN1; SMN2 4621/4885AOC3 1019/4885
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 4621/4885AOC3 1019/4885
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 4621/4885AOC3 1019/4885
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 4621/4885AOC3 1019/4885

“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.