SCHEMBL1180896

SCHEMBL1180896

O=C(O)c1ccc[c]c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41
AKR1C3 P42330 2/20 0.41
MAPT P10636 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.39
PRNP P04156 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
SCHEMBL6975365 0.81 KDM4E (0.34) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL16601221 0.80 AKR1C3 (0.52) ALDH1A1KDM4ESMN1; SMN2AKR1C3MAPT
SCHEMBL5106840 0.76 LMNA (0.48) ALDH1A1ALOX15KDM4ECA1CA2
SCHEMBL160051 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL3844824 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL3727873 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL3093108 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL1181085 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL753675 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EHPGDCA12
Water SCHEMBL23706365 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4EHPGDCA12

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-20130045993-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND THEIR USE Piramal Enterprises Limited (IN) 2013-02-21 US disclosed
US-8304449-B2 Inhibitors of cyclin dependent kinases and their use PIRAMAL HEALTHCARE LIMITED (IN) 2012-11-06 US disclosed
US-20110136873-A1 Inhibitors of Cyclin Dependent Kinases and Their Use PIRAMAL LIFE SCIENCES LTD. (IN) 2011-06-09 US disclosed
US-7915301-B2 chromenone derivatives of nitrogen-, oxygen- or sulfur-containing saturated heterocycles; preparation by cyclizing benzoyl intermediates; antiproliferative agents; 2-(2-Chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one Piramal Life Science Limited (IN) 2011-03-29 US disclosed
US-7884127-B2 chromenone derivatives of nitrogen-, oxygen- or sulfur-containing saturated heterocycles; preparation by cyclizing benzoyl intermediates; antiproliferative agents; 2-(2-Chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one; acidification Pirimal Life Sciences Ltd. (IN) 2011-02-08 US disclosed
US-20080108690-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2008-05-08 US disclosed
US-7271193-B2 Inhibitors of cyclin-dependent kinases and their use NICHOLAS PIRAMAL INDIA, LTD. (IN) 2007-09-18 US disclosed
US-20070015802-A1 chromenone derivatives of nitrogen-, oxygen- or sulfur-containing saturated heterocycles; preparation by cyclizing benzoyl intermediates; antiproliferative agents; 2-(2-Chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one; acidification NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-18 US disclosed
EP-1556375-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES Nicholas Piramal India Limited (IN) 2005-07-27 EP disclosed
US-20040106581-A1 Inhibitors of cyclin-dependent kinases and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2004-06-03 US disclosed
WO-2004004632-A2 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES NICHOLAS PIRAMAL INDIA LIMITED (IN) 2004-01-15 WO 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-20040106581-A1 Inhibitors of cyclin-dependent kinases and their use CCNK, CCNI, CDK1 ALDH1A1 1672/4885ALOX15 2234/4885KDM4E 1718/4885
US-20080108690-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AND THEIR USE CDK1, CCNK, CCNI ALDH1A1 1901/4885ALOX15 2572/4885KDM4E 1821/4885
US-20110136873-A1 Inhibitors of Cyclin Dependent Kinases and Their Use CDK1, CCNK, CCNI ALDH1A1 1901/4885ALOX15 2572/4885KDM4E 1821/4885
US-20130045993-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND THEIR USE CDK1, CCNK, CCNI ALDH1A1 2112/4885ALOX15 2547/4885KDM4E 1474/4885
US-20070015802-A1 chromenone derivatives of nitrogen-, oxygen- or sulfur-containing saturated heterocycles; preparation by cyclizing benzoyl intermediates; antiproliferative agents; 2-(2-Chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one; acidification CCNI, CDK1, CCNA1 ALDH1A1 1685/4885ALOX15 1715/4885KDM4E 1216/4885

“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.