SCHEMBL900593

SCHEMBL900593

[CH2]Cc1c(OC)cc(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
PTPN1 P18031 1/20 0.40
APLNR P35414 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
TAAR1 Q96RJ0 1/20 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
SCHEMBL9170776 0.81 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL2096172 0.80 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL900964 0.79 CYP3A4 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL5185794 0.78 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL7952918 0.77 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL1047858 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL442070 0.76 CYP1A2 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL7952922 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL2332266 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL2089775 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906617-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2018-09-04 CN disclosed
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists KORNBERG BRIAN EDWARD (US) 2003-01-23 US disclosed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US disclosed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (3 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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists GLRB, GRIN1, GRIN2B ALDH1A1 1057/4885CA12 2659/4885CA1 2389/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ALDH1A1 871/4885CA12 4687/4885CA1 4413/4885
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists GRIN1, OPRD1, OPRM1 ALDH1A1 445/4885CA12 3726/4885CA1 3024/4885

“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.