SCHEMBL1661656

SCHEMBL1661656

C=CB(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.33
KCNA3 P22001 1/20 0.33
TGM2 P21980 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 1/20 0.31
AOC3 Q16853 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL511746 0.76 CA1 (0.39) LTA4HTSHRALDH1A1CA4KMT2A
SCHEMBL1599645 0.76 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAGAAAOC3
SCHEMBL2935791 0.76 ACHE (0.47) ALDH1A1LMNACA1CA2SMN1; SMN2
SCHEMBL3079811 0.76 ACHE (0.52) ALDH1A1LMNAGAA
SCHEMBL5628003 0.76 NFE2L2 (0.41) MAOA
SCHEMBL5951514 0.70 CA1 (0.50) ALDH1A1KMT2ALMNACA1MAOA
SCHEMBL5951517 0.70 CA1 (0.50) ALDH1A1KMT2ALMNACA1MAOA
SCHEMBL51246 0.69 LTA4H (0.50) LTA4HTSHRALDH1A1CA4KMT2A
SCHEMBL17014985 0.69 LTA4H (0.50) LTA4HTSHRALDH1A1CA4KMT2A
Ethylene SCHEMBL15348371 0.69 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836487-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2018-10-31 EP disclosed
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-9255108-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
EP-2836487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2015-02-18 EP disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
WO-2013154878-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2013-10-17 WO disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
EP-2571843-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES Genfit (FR) 2013-03-27 EP disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
EP-1025142-B1 PROCESS FOR PREPARING CONJUGATED POLYMERS DOW GLOBAL TECHNOLOGIES INC (US) 2003-02-26 EP disclosed
EP-1025142-A1 PROCESS FOR PREPARING CONJUGATED POLYMERS THE DOW CHEMICAL COMPANY (US) 2000-08-09 EP disclosed
WO-1999020675-A1 PROCESS FOR PREPARING CONJUGATED POLYMERS THE DOW CHEMICAL COMPANY (US) 1999-04-29 WO disclosed
US-5777070-A Process for preparing conjugated polymers THE DOW CHEMICAL COMPANY (US) 1998-07-07 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-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LTA4H 1148/4885TSHR 4224/4885ALDH1A1 3154/4885
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LTA4H 1148/4885TSHR 4224/4885ALDH1A1 3154/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LTA4H 1148/4885TSHR 4224/4885ALDH1A1 3154/4885
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS LTA4H 2843/4885TSHR 1495/4885ALDH1A1 874/4885

“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.