SCHEMBL4635860

SCHEMBL4635860

C=CCCC(CCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
CYP2C19 P33261 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 3/20 0.34
RIPK1 Q13546 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH1 P35367 3/20 0.33
HTR2A P28223 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL17183697 0.89 TSHR (0.39) AOC3CYP2C19ESR1ESR2LMNA
SCHEMBL17183788 0.89 TSHR (0.39) CYP2C19OPRD1TSHRHRH1HTR2A
SCHEMBL17183658 0.88 TSHR (0.39) CYP2C19OPRD1TSHRHTR2AALDH1A1
SCHEMBL17183693 0.88 TSHR (0.39) AOC3CYP2C19ESR1ESR2LMNA
SCHEMBL4908362 0.87 LMNA (0.41) CYP2C19LMNAOPRD1RIPK1SMN1; SMN2
SCHEMBL2132327 0.87 LMNA (0.41) CYP2C19LMNAOPRD1RIPK1SMN1; SMN2
SCHEMBL17183738 0.86 TSHR (0.42) AOC3CYP2C19ESR1ESR2OPRD1
SCHEMBL17183739 0.86 TSHR (0.42) OPRD1TSHRHTR2AALDH1A1SIGMAR1
SCHEMBL17183631 0.86 TSHR (0.42) AOC3CYP2C19ESR1ESR2OPRD1
SCHEMBL17183688 0.86 TSHR (0.42) AOC3CYP2C19ESR1ESR2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919972-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL Pirelli & C. S.p.A. (IT) 2008-05-14 EP claimed
WO-2007025556-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL PIRELLI & C. S.P.A. (IT) 2007-03-08 WO 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
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-6218469-B1 Unsaturated elastomer compositions and their vulcanized rubbers MITSUI CHEMICALS INC (JP) 2001-04-17 US disclosed
US-6143827-A CONJUGATED DIENE COPOLYMER; MOLDABILITY, TENSILE STRENGTH MITSUI CHEMICALS INC (JP) 2000-11-07 US 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
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

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 AOC3 1019/4885CYP2C19 2923/4885ESR1 814/4885
US-11078381-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel CDH1, CD44, COMT AOC3 1019/4885CYP2C19 2923/4885ESR1 814/4885
US-10611927-B2 Catechol-containing adhesive hydrogel, composition for preparing adhesive hydrogel, and compositions each including said adhesive hydrogel CDH1, CD44, COMT AOC3 1019/4885CYP2C19 2923/4885ESR1 814/4885

“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.