SCHEMBL47693

SCHEMBL47693

CCCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
FABP5 Q01469 3/20 0.49
FABP7 O15540 2/20 0.49
EPHX2 P34913 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.42
TNF P01375 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL29779340 1.00 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30781736 1.00 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10071038 0.91 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5497604 0.90 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14612149 0.89 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27984222 0.88 KMT2A (0.54) KMT2AFABP5FABP7EPHX2TNF
SCHEMBL16360194 0.88 KMT2A (0.54) KMT2AFABP5FABP7EPHX2TNF
Hydrochloric Acid SCHEMBL28086829 0.87 KMT2A (0.53) KMT2AFABP5FABP7EPHX2TNF
SCHEMBL4839280 0.87 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3623157 0.87 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1

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
WO-2018115421-A1 COMPOUNDS USEFUL FOR TREATING A MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INFECTION INTERVET INTERNATIONAL B.V. (NL) 2018-06-28 WO disclosed
US-9822112-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MEYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 US disclosed
US-20170240599-A1 A PROCESS FOR THE PREPARATION OF LINACLOTIDE SURESH KUMAR VADLAMANI (IN) 2017-08-24 US disclosed
US-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-08-17 US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9676775-B2 Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 US disclosed
US-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-03-02 US disclosed
US-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY UNIVERSITY OF MASSACHUSETTS 2017-02-16 US disclosed
US-8883963-B2 Peptidomimetics with glucagon antagonistic and GLP 1 agonistic activities CADILA HEALTHCARE LIMITED (IN) 2014-11-11 US disclosed
US-8852599-B2 Immunoconjugates, compositions for making them, and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-07 US disclosed
US-8841413-B2 Antidiabetic compounds CADILA HEALTHCARE LIMITED (IN) 2014-09-23 US disclosed
US-20130225488-A1 Antidiabetic Comppounds CADILA HEALTHCARE LIMITED (IN) 2013-08-29 US disclosed
US-20120270811-A1 CONFORMATIONS OF DIVERGENT PEPTIDES WITH MINERAL BINDING AFFINITY KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-10-25 US disclosed
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 US disclosed
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 US disclosed
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2012-01-26 US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2011-03-03 US disclosed
US-7312306-B2 Substituted heterocyclic acyl-tripeptides useful as thrombin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-25 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 (12 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-20170240599-A1 A PROCESS FOR THE PREPARATION OF LINACLOTIDE LPO, LTB4R2, LTA4H KMT2A 2672/4885FABP5 3212/4885FABP7 3598/4885
US-20170233392-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885FABP5 3508/4885FABP7 1511/4885
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 KMT2A 978/4885FABP5 2504/4885FABP7 616/4885
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 KMT2A 327/4885FABP5 4857/4885FABP7 4752/4885
US-20130225488-A1 Antidiabetic Comppounds GLP1R, GPR119, GIPR KMT2A 3912/4885FABP5 728/4885FABP7 807/4885
US-20170057959-A1 HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA2, GABRA3 KMT2A 934/4885FABP5 3508/4885FABP7 1511/4885
US-20120270811-A1 CONFORMATIONS OF DIVERGENT PEPTIDES WITH MINERAL BINDING AFFINITY SDF4, CALCB, CALCA KMT2A 4667/4885FABP5 158/4885FABP7 87/4885
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS KMT2A 4277/4885FABP5 3472/4885FABP7 2914/4885
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 KMT2A 327/4885FABP5 4856/4885FABP7 4747/4885
US-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY DCLRE1B, RTCB, RNASE1 KMT2A 4018/4885FABP5 1967/4885FABP7 533/4885
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES GLP1R, GPR119, GIPR KMT2A 3541/4885FABP5 1018/4885FABP7 809/4885
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR KMT2A 510/4885FABP5 1254/4885FABP7 1386/4885

“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.