SCHEMBL500175

SCHEMBL500175

OCCc1ccc(Cc2cc(Br)ccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
STAT3 P40763 1/20 0.37
SLC5A2 P31639 11/20 0.36
SLC5A1 P13866 10/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL499730 0.90 CYP11B1 (0.38) CA2STAT3SLC5A2SLC5A1NPSR1
SCHEMBL499287 0.86 SLC5A2 (0.38) STAT3SLC5A2SLC5A1NPSR1LMNA
SCHEMBL17842 0.83 MEN1 (0.46) SLC5A2SLC5A1SMN1; SMN2TDP1KDM4E
SCHEMBL29816996 0.83 MEN1 (0.46) SLC5A2SLC5A1SMN1; SMN2TDP1KDM4E
SCHEMBL12782162 0.82 CCR5 (0.47) STAT3NPSR1MAPTHTR2ASLC6A4
SCHEMBL3455233 0.82 SMN1; SMN2 (0.40) STAT3NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL500115 0.82 HTR2A (0.34) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL29198766 0.82 HTR2A (0.37) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL500031 0.81 SLC6A4 (0.37) SLC5A2SLC5A1ALDH1A1MAPTHTR2A
SCHEMBL499821 0.80 SLC5A2 (0.54) SLC5A2SLC5A1

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 29 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-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
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 CA2 450/4885STAT3 2735/4885SLC5A2 1/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CA2 450/4885STAT3 2735/4885SLC5A2 1/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CA2 450/4885STAT3 2735/4885SLC5A2 1/4885

“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.