SCHEMBL730168

SCHEMBL730168

C=CC(=O)NCCN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RAD52 P43351 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR4 Q13639 3/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA12 O43570 2/20 0.38

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
SCHEMBL664690 0.84 CA12 (0.53) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL2733785 0.82 ALDH1A1 (0.43) HSD17B10MEN1KMT2AKDM4EGAA
SCHEMBL4420717 0.82 CA12 (0.54) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10802653 0.81 MEN1 (0.42) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL28434860 0.81 ALDH1A1 (0.48) HSD17B10MEN1KMT2AKDM4EGAA
SCHEMBL22343645 0.81 HDAC2 (0.49) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL10359623 0.80 HSD17B10 (0.59) HSD17B10MEN1KMT2AKDM4EGAA
SCHEMBL15032035 0.80 ALDH1A1 (0.47) HSD17B10MEN1KMT2AKDM4EGAA
SCHEMBL3366797 0.79 MAPK1 (0.41) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL793119 0.79 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063210-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS SOLVAY SA (BE) 2016-09-07 EP disclosed
US-9388282-B2 Method of thiophenol removal from poly(arylene sulfide) polymer compositions SOLVAY SPECIALTY POLYMERS USA, LLC. (US) 2016-07-12 US disclosed
WO-2015065906-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-05-07 WO disclosed
US-20150119550-A1 Method of Thiophenol Removal from Poly(Arylene Sulfide) Polymer Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-04-30 US disclosed
US-8889802-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2014-11-18 US disclosed
EP-2563368-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS University of Basel (CH) 2013-03-06 EP disclosed
US-20130040912-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2013-02-14 US disclosed
US-20120130040-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2012-05-24 US disclosed
EP-2448990-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME Polymeright Inc. (US) 2012-05-09 EP disclosed
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
WO-2011135520-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2011-11-03 WO disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO disclosed
US-7585932-B2 Polymer compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-09-08 US disclosed
EP-1940917-A2 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME Chevron Phillips Chemical Company LP (US) 2008-07-09 EP disclosed
US-20070055033-A1 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2007-03-08 US disclosed
WO-2007021960-A2 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-02-22 WO disclosed
US-5422121-A Oral dosage unit form ROHM GMBH (DE) 1995-06-06 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-20130040912-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS CDK4, MTOR, RPTOR HSD17B10 3088/4885MEN1 1744/4885KMT2A 870/4885

“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.