SCHEMBL6113045

SCHEMBL6113045

COc1cc2c(c(OC)c1OC)CCC2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
TUBB4A P04350 7/20 0.50
TUBB P07437 7/20 0.50
TUBA3C P0DPH7 7/20 0.50
TUBA1B P68363 7/20 0.50
TUBA4A P68366 7/20 0.50
TUBB4B P68371 7/20 0.50
TUBB3 Q13509 7/20 0.50
TUBB2A Q13885 7/20 0.50
TUBB8 Q3ZCM7 7/20 0.50
TUBA3E Q6PEY2 7/20 0.50
TUBA1A Q71U36 7/20 0.50
TUBA1C Q9BQE3 7/20 0.50
TUBB6 Q9BUF5 7/20 0.50
TUBB2B Q9BVA1 7/20 0.50

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
SCHEMBL4132763 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4121479 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4123012 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL17304627 0.87 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL9324546 0.86 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3088172 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL16999965 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3967795 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL7117998 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL17304628 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633242-B2 Benzylidene indanones and processes for preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-01-21 US claimed
US-20130079396-A1 Anticancer and Tubulin Polymerisation Inhibition Activity of Benzylidene Indanones and Process of Preparing the Same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-03-28 US claimed
US-20230052517-A1 ELECTROCHEMICAL SENSING METHODS AND APPARATUS FOR DETERMINING DRUG UPTAKE AND RETENTION IN CELLS THE UNIVERSITY OF MANITOBA (CA) 2023-02-16 US disclosed
EP-3322687-B1 2-BENZYL-INDANONE COMPOUNDS AS ANTICANCER AGENT AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2020-02-26 EP disclosed
US-8633242-B2 Benzylidene indanones and processes for preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-01-21 US disclosed
US-8633242-B2 Benzylidene indanones and processes for preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-01-21 US disclosed
US-20130079396-A1 Anticancer and Tubulin Polymerisation Inhibition Activity of Benzylidene Indanones and Process of Preparing the Same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-03-28 US disclosed
US-20130079396-A1 Anticancer and Tubulin Polymerisation Inhibition Activity of Benzylidene Indanones and Process of Preparing the Same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-03-28 US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 WO disclosed
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 US disclosed
US-5318976-A Topoisomerase inhibitors GLAXO INC. (US) 1994-06-07 US disclosed
US-5223506-A CYCLIC ANTITUMOR COMPOUNDS GLAXO INC. (US) 1993-06-29 US disclosed
WO-1992021661-A1 CYCLIC ANTITUMOR COMPOUNDS GLAXO INC. (US) 1992-12-10 WO disclosed
US-4826975-A HYPOTENSIVE, ANTICOAGULANT, ANTILIPEMIC MAGGIONI-WINTHROP S.P.A. (IT) 1989-05-02 US disclosed
WO-1987002035-A1 FUSED CYCLOALIPHATIC AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-09 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 (2 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-20130079396-A1 Anticancer and Tubulin Polymerisation Inhibition Activity of Benzylidene Indanones and Process of Preparing the Same TUBB6, TUBB, TUBB1 KDM4E 1892/4885ALDH1A1 826/4885HPGD 1620/4885
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 KDM4E 232/4885ALDH1A1 1302/4885HPGD 599/4885

“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.