SCHEMBL17529903

SCHEMBL17529903

Cc1cccc(P(C(C)C)C(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 4/20 0.35
CYP2A6 P11509 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 5/20 0.33
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
ADRA1D P25100 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL30636793 0.82 SCN4A (0.39) CYP1A2CYP2A6ALDH1A1TSHRKCNH2
SCHEMBL17529819 0.82 TRPA1 (0.39) TRPA1ATMCYP1A2CYP2A6ALDH1A1
SCHEMBL7561832 0.81 TSHR (0.43) CYP1A2CYP2A6ALDH1A1TSHRCYP3A4
SCHEMBL15658281 0.77 TRPA1 (0.39) TRPA1ATMCYP1A2CYP2A6ALDH1A1
SCHEMBL29653622 0.75 TRPA1 (0.46) TRPA1ATMCYP1A2CYP2A6ALDH1A1
SCHEMBL126302 0.75 TRPA1 (0.46) TRPA1ATMCYP1A2CYP2A6ALDH1A1
SCHEMBL29706026 0.75 TRPA1 (0.46) TRPA1ATMCYP1A2CYP2A6ALDH1A1
SCHEMBL30096500 0.75 TAAR1 (0.35) TRPA1CYP2A6TSHRCYP2D6TP53
SCHEMBL4453279 0.75 TAAR1 (0.35) TRPA1CYP2A6TSHRCYP2D6TP53
SCHEMBL21873514 0.73 CYP2A6 (0.39) TRPA1ATMCYP1A2CYP2A6ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990112-B1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
EP-2990113-B1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-24 US disclosed
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-03 US disclosed
CN-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
US-9834536-B2 Method for producing catalyst for cyclic carbonate synthesis NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2017-12-05 US disclosed
CN-105121013-B The manufacture method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2017-10-20 CN disclosed
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEMICAL CO., LTD. (JP) 2016-04-21 US disclosed
US-20160067695-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEMICAL CO., LTD. (JP) 2016-03-10 US disclosed
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-03-03 US disclosed
EP-2990114-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS National Institute of Advanced Industrial Science and Technology (JP) 2016-03-02 EP disclosed
EP-2990112-A1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE Maruzen Petrochemical Co., Ltd. (JP) 2016-03-02 EP disclosed
EP-2990113-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS Maruzen Petrochemical Co., Ltd. (JP) 2016-03-02 EP disclosed
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN 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 (5 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-20160067695-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CYCS, CA7, CA9 TRPA1 4757/4885ATM 4084/4885CYP1A2 376/4885
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis CYCS, CA7, CA9 TRPA1 4757/4885ATM 4084/4885CYP1A2 376/4885
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS EPHX2, CA4, CA9 TRPA1 2950/4885ATM 3613/4885CYP1A2 409/4885
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CA2, PLCB3, PHOSPHO1 TRPA1 2799/4885ATM 4443/4885CYP1A2 1281/4885
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts SIK2, SIK3, SIK1 TRPA1 2630/4885ATM 1889/4885CYP1A2 1649/4885

“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.