SCHEMBL701017

SCHEMBL701017

C[C]=C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ESR1 P03372 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9194201 1.00 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL3846147 1.00 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL28126867 0.78 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL15656328 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL2458795 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL23728241 0.76 ESR1 (0.48) TSHRALDH1A1ESR1MAPTLMNA
SCHEMBL23728243 0.76 ESR1 (0.48) TSHRALDH1A1ESR1MAPTLMNA
SCHEMBL5828005 0.76 CES1 (0.48) CES2CES1TSHRALDH1A1DAO
SCHEMBL28170573 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL3841892 0.74 CES1 (0.41) CES2CES1TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078054-A1 TIRE FOR VEHICLE WHEELS COMPRISING CROSSLINKED ELASTOMERIC COMPOSITION Pirelli Tyre S.p.A. (IT) 2009-07-15 EP claimed
WO-2008052571-A1 TIRE FOR VEHICLE WHEELS COMPRISING CROSSLINKED ELASTOMERIC COMPOSITION PIRELLI TYRE S.P.A. (IT) 2008-05-08 WO claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP claimed
US-11739208-B2 Block copolymers and uses thereof Kraton Corporation (US) 2023-08-29 US disclosed
CN-116212122-B Anticoagulation coating and application and preparation method thereof 成都德信安创新医疗技术有限公司 2023-08-01 CN disclosed
CN-116212122-A Anticoagulation coating and application and preparation method thereof 成都德信安创新医疗技术有限公司 2023-06-06 CN disclosed
US-20230137092-A1 Composition and Method for the Treatment and Prevention of Cardiac, Pulmonary, Dermal, and Renal Fibrosis EMERALD HEALTH PHARMACEUTICALS INC. (US) 2023-05-04 US disclosed
EP-4099993-A1 COMPOSITION AND METHOD FOR THE TREATMENT AND PREVENTION OF CARDIAC, PULMONARY, DERMAL, AND RENAL FIBROSIS Emerald Health Pharmaceuticals Inc. (US) 2022-12-14 EP disclosed
US-20220184003-A1 Formulations of Cannabidiol Derivatives and Their Use as Modulators of Cannabinoid Receptor Type 2 (CB2) EMERALD HEALTH PHARMACEUTICALS INC (US) 2022-06-16 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-3960780-A1 BLOCK COPOLYMERS AND USES THEREOF Kraton Polymers Research B.V. (NL) 2022-03-02 EP disclosed
US-5079128-A Thin film containing a methine dye having at least two dimethylaminophenyl groups and a carbonium ion; laser writing; heat resistance CANON KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed
US-5079127-A Methine Dyes CANON KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed
US-4791126-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 US disclosed
EP-0264198-A2 Optical information recording medium CANON KABUSHIKI KAISHA (JP) 1988-04-20 EP disclosed
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 US disclosed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP disclosed
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 US disclosed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 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-20220184003-A1 Formulations of Cannabidiol Derivatives and Their Use as Modulators of Cannabinoid Receptor Type 2 (CB2) CNR2, CNR1, MAG CES2 1008/4885CES1 1144/4885TSHR 1413/4885
US-20230137092-A1 Composition and Method for the Treatment and Prevention of Cardiac, Pulmonary, Dermal, and Renal Fibrosis FABP3, JUP, DSP CES2 197/4885CES1 216/4885TSHR 4684/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 CES2 1724/4885CES1 2306/4885TSHR 2101/4885

“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.