SCHEMBL499348

SCHEMBL499348

CC(=O)OCCc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
PTGES O14684 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CFD P00746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
UCHL1 P09936 1/20 0.37
UCHL3 P15374 1/20 0.37

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
SCHEMBL499234 0.82 ALDH1A1 (0.39) HPGDALDH1A1CYP4F2CYP4A11CFD
SCHEMBL48235 0.80 MAPT (0.52) HPGDALDH1A1MAPTTHRBHTT
SCHEMBL499641 0.79 ALDH1A1 (0.43) HPGDALDH1A1MAPTTHRBHTT
SCHEMBL499583 0.78 ALDH1A1 (0.47) HPGDALDH1A1MAPTCYP1A2PTGES
SCHEMBL4668894 0.78 ALDH1A1 (0.45) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6442541 0.77 ALDH1A1 (0.46) HPGDALDH1A1MAPTCYP1A2PTGES
SCHEMBL499767 0.75 MAPT (0.67) HPGDALDH1A1MAPTHTTCYP1A2
SCHEMBL1457144 0.74 KMT2A (0.63) HPGDALDH1A1MAPTHTTNPSR1
SCHEMBL29809563 0.74 KDM4E (0.65) HPGDALDH1A1MAPTHTTPTGES
SCHEMBL17019 0.74 KDM4E (0.65) HPGDALDH1A1MAPTHTTPTGES

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2011-08-25 US disclosed
US-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2011-08-25 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
EP-2187742-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2010-05-26 EP disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 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 (3 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-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 HPGD 1142/4885ALDH1A1 722/4885MAPT 1064/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 HPGD 1142/4885ALDH1A1 722/4885MAPT 1064/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 HPGD 1142/4885ALDH1A1 722/4885MAPT 1064/4885

“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.