SCHEMBL14986010

SCHEMBL14986010

OCc1ccc(B2OCCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.35
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
LTA4H P09960 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL14986008 0.92 TSHR (0.37) CHKATSHRPRSS1PRSS2PRSS3
SCHEMBL890386 0.83 LPL (0.40) HRH3LPLLIPG
SCHEMBL3686725 0.82
SCHEMBL12335857 0.80 CHKA (0.44) CHKAHRH3VHLELOCELOB
SCHEMBL20078160 0.80 LPL (0.38) TSHRCA2LPLLIPG
SCHEMBL11887577 0.78 LPL (0.47) LPLLIPGPTGS2
SCHEMBL19295743 0.77 LMNA (0.36) CA12CA1CA2CA4CA5A
SCHEMBL14986014 0.76 PRSS1 (0.43) CHKATSHRPRSS1PRSS2PRSS3
SCHEMBL4266621 0.76 LPL (0.38) LPLLIPG
SCHEMBL15518178 0.76 LIPG (0.40) PRSS1PRSS2PRSS3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016073357-A1 NOVEL HYDROGEN PEROXIDE-ACTIVABLE, ANTI-OXIDANT COMPOUNDS AND METHODS USING SAME BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2016-05-12 WO claimed
US-9950071-B2 Hybrid anticancer prodrug simultaneously producing cinnamaldehyde and quinone methide and method for preparing same INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY (KR) 2018-04-24 US disclosed
US-9950071-B2 Hybrid anticancer prodrug simultaneously producing cinnamaldehyde and quinone methide and method for preparing same INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY (KR) 2018-04-24 US disclosed
EP-2599818-B1 Silicon-containing resist underlayer film-forming composition and patterning process SHINETSU CHEMICAL CO (JP) 2017-02-01 EP disclosed
US-20170014518-A1 HYBRID ANTICANCER PRODRUG SIMULTANEOUSLY PRODUCING CINNAMALDEHYDE AND QUINONE METHIDE AND METHOD FOR PREPARING SAME INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY (KR) 2017-01-19 US disclosed
US-20170014518-A1 HYBRID ANTICANCER PRODRUG SIMULTANEOUSLY PRODUCING CINNAMALDEHYDE AND QUINONE METHIDE AND METHOD FOR PREPARING SAME INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY (KR) 2017-01-19 US disclosed
WO-2016073357-A1 NOVEL HYDROGEN PEROXIDE-ACTIVABLE, ANTI-OXIDANT COMPOUNDS AND METHODS USING SAME BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2016-05-12 WO disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
EP-2599818-A1 Silicon-containing resist underlayer film-forming composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2013-06-05 EP disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US 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 (1 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-20170014518-A1 HYBRID ANTICANCER PRODRUG SIMULTANEOUSLY PRODUCING CINNAMALDEHYDE AND QUINONE METHIDE AND METHOD FOR PREPARING SAME NQO1, ROS1, SQOR CHKA 4275/4885TSHR 4655/4885HRH3 1644/4885

“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.