SCHEMBL17529664

SCHEMBL17529664

COc1ccc(P(c2cccc(C)c2C)c2cccc(C)c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
FFAR4 Q5NUL3 1/20 0.42
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX12 P18054 2/20 0.38
KEAP1 Q14145 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TUBB1 Q9H4B7 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
SCHEMBL17529812 0.85 CA4 (0.43) ALDH1A1FFAR4HTTMAPTCA12
SCHEMBL1129331 0.82 ALDH1A1 (0.43) ALDH1A1FFAR4MAPTCA12CA1
SCHEMBL6843669 0.79 TDP1 (0.46) ALDH1A1CA1CA2CA7CA9
SCHEMBL1988632 0.77 CA1 (0.50) ALDH1A1MAPTCA12CA1CA2
SCHEMBL29653622 0.76 TRPA1 (0.46) ALDH1A1MAPTCA1CA2CA7
SCHEMBL126302 0.76 TRPA1 (0.46) ALDH1A1MAPTCA1CA2CA7
SCHEMBL29706026 0.76 TRPA1 (0.46) ALDH1A1MAPTCA1CA2CA7
SCHEMBL15660512 0.76 CYP3A4 (0.42) ALDH1A1CA1CA2CA7CA9
SCHEMBL6988010 0.75 TDP1 (0.46) ALDH1A1CA1CA2CA7CA9
SCHEMBL10699087 0.74 ALDH1A1 (0.45) ALDH1A1HTTMAPTCA12CA1

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-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
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-2990113-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS Maruzen Petrochemical Co., Ltd. (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

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 ALDH1A1 3770/4885FFAR4 4592/4885HTT 4714/4885
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis CYCS, CA7, CA9 ALDH1A1 3770/4885FFAR4 4592/4885HTT 4714/4885
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS EPHX2, CA4, CA9 ALDH1A1 4123/4885FFAR4 4307/4885HTT 4176/4885
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CA2, PLCB3, PHOSPHO1 ALDH1A1 4768/4885FFAR4 4475/4885HTT 4198/4885
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts SIK2, SIK3, SIK1 ALDH1A1 4167/4885FFAR4 4599/4885HTT 4296/4885

“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.