SCHEMBL1209429

SCHEMBL1209429

O=c1cc(CCl)c2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 3/20 0.58
DYRK1A Q13627 1/20 0.58
MCL1 Q07820 2/20 0.57
NQO1 P15559 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
CYP19A1 P11511 1/20 0.52
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.46
HSD17B3 P37058 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL5459900 0.83 CA12 (0.61) MCL1NQO1CA12CA1CA9
SCHEMBL30486066 0.83 CA12 (0.61) MCL1NQO1CA12CA1CA9
SCHEMBL8372531 0.83 HSD17B3 (0.62) NQO1CA12CA1CA9CYP19A1
SCHEMBL18138409 0.83 NQO1 (0.58) NQO1CA12CA1CA9CYP19A1
SCHEMBL4211791 0.81 NQO1 (0.61) NQO1CA12CA1CA9CYP19A1
SCHEMBL294208 0.81 NQO1 (0.56) NQO1CA12CA1CA9CYP19A1
SCHEMBL637265 0.81 NQO1 (0.56) NQO1CA12CA1CA9CYP19A1
SCHEMBL28217721 0.81 NQO1 (0.56) NQO1CA12CA1CA9CYP19A1
B-D-Galactose SCHEMBL5884183 0.80 MCL1 (0.43) PON1DYRK1AMCL1CA12CA1
SCHEMBL14735837 0.80 NQO1 (0.55) NQO1CA12CA1CA9CYP19A1

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
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation 2016-11-17 US disclosed
WO-2015199141-A1 COUMALIN-BASED CONDENSED RING COMPOUND EXHIBITING LUMINESCENCE/SEMICONDUCTOR PROPERTIES, AND METHOD FOR MANUFACTURING SAME 国立大学法人 群馬大学 2015-12-30 WO disclosed
US-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels LIFE TECHNOLOGIES CORP (US) 2015-08-06 US disclosed
US-8981100-B2 Use of novel coumarins as glutathione and thiol labels Life Technologies Corporation (US) 2015-03-17 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation (US) 2011-02-24 US disclosed
US-7811332-B2 does not require exogenous cells; surgical repair of bladder and urethra defects; implanting shaped fibrous, synthetic biodegradable poly(lactic acid-glycolic acid)matrix (interstitial spacing 100-300 mu) to form scaffolding; covering with omentum or Gerota's fascia to render impermeable to urine CHILDREN'S MEDICAL CENTER CORPORATION (US) 2010-10-12 US disclosed
WO-2009018112-A2 THE USE OF NOVEL COUMARINS AS GLUTATHIONE AND THIOL LABELS INVITROGEN CORPORATION (US) 2009-02-05 WO disclosed
US-20060002972-A1 Reconstruction of urological structures with polymeric matrices CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-01-05 US disclosed
US-20030120352-A1 Reconstruction of urologic structures with polymeric matrices ATALA ANTHONY (US) 2003-06-26 US disclosed
US-20020055786-A1 RECONSTRUCTION OF UROLOGICAL STRUCTURES WITH POLYMERIC MATRICES ATALA ANTHONY (US) 2002-05-09 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 (4 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-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 PON1 1580/4885DYRK1A 4535/4885MCL1 572/4885
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 PON1 1580/4885DYRK1A 4535/4885MCL1 572/4885
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 PON1 1429/4885DYRK1A 4538/4885MCL1 806/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 PON1 1974/4885DYRK1A 3269/4885MCL1 4741/4885

“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.