SCHEMBL499583

SCHEMBL499583

O=C(c1ccc(CBr)cc1)c1cc(Br)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.42
PTGES O14684 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL48235 0.86 MAPT (0.52) ALDH1A1CYP4F2CYP4A11MAPTPOLB
SCHEMBL6442541 0.86 ALDH1A1 (0.46) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL499641 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL7266114 0.83 CYP4F2 (0.54) ALDH1A1CYP4F2CYP4A11MAPTPOLB
SCHEMBL30482609 0.82 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL17755 0.82 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL499767 0.81 MAPT (0.67) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL29740498 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL1457582 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL2637828 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDLMNA

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 ALDH1A1 722/4885CYP4F2 598/4885CYP4A11 325/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 ALDH1A1 722/4885CYP4F2 598/4885CYP4A11 325/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 ALDH1A1 722/4885CYP4F2 598/4885CYP4A11 325/4885

“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.