SCHEMBL17529796

SCHEMBL17529796

PC1(Cc2ccccc2)CCCCC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TRPA1 O75762 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
OPRM1 P35372 1/20 0.35
SLC18A3 Q16572 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
SCHEMBL17536381 0.77 TRPA1 (0.41) POLBTRPA1MAOAMAOBNOS3
SCHEMBL11465022 0.77 SLC6A9 (0.45) POLBTRPA1MAOAMAOBNOS3
SCHEMBL516000 0.77 MAOA (0.46) POLBTRPA1MAOAMAOBNOS3
SCHEMBL21635608 0.76 MAOA (0.41) POLBTRPA1MAOAMAOBNOS3
SCHEMBL5958283 0.75 NOS3 (0.42) POLBTRPA1MAOAMAOBNOS3
SCHEMBL28922378 0.75 TRPA1 (0.48) POLBTRPA1NOS3NOS1NOS2
SCHEMBL13563553 0.75 TRPA1 (0.44) POLBTRPA1NOS3NOS1NOS2
SCHEMBL2761904 0.74 MAOA (0.39) POLBTRPA1MAOAMAOBNOS3
SCHEMBL9723028 0.73 TRPA1 (0.38) POLBTRPA1MAOAMAOBNOS3
SCHEMBL10925912 0.72 NOS3 (0.41) POLBTRPA1MAOAMAOBNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990113-B1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
EP-2990112-B1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE 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
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
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

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 POLB 793/4885TRPA1 4757/4885MAOA 1138/4885
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis CYCS, CA7, CA9 POLB 793/4885TRPA1 4757/4885MAOA 1138/4885
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS EPHX2, CA4, CA9 POLB 1146/4885TRPA1 2950/4885MAOA 1719/4885
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CA2, PLCB3, PHOSPHO1 POLB 564/4885TRPA1 2799/4885MAOA 3681/4885
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts SIK2, SIK3, SIK1 POLB 1549/4885TRPA1 2630/4885MAOA 4259/4885

“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.