SCHEMBL608329

SCHEMBL608329

OC(Br)(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNN4 O15554 3/20 0.45
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP3A4 P08684 2/20 0.40
PTPN1 P18031 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL8715671 0.94 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8713051 0.94 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8712572 0.94 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7623485 0.80 CYP1A2 (0.46) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4278139 0.80 CYP1A2 (0.46) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL161069 0.76 CYP2C19 (0.50) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
Triphenylmethanol SCHEMBL456603 0.76 CYP19A1 (0.50) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL31357395 0.76 CYP1A2 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7173455 0.76 CYP1A2 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
Triphenylmethanol SCHEMBL1332873 0.76 CYP19A1 (0.50) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817366-B9 MIXED ALKYL BENZYL ESTER OF SUCCINIC ACID AS SOFTENER LANXESS DEUTSCHLAND GMBH (DE) 2017-09-06 EP disclosed
EP-2817366-B1 MIXED ALKYL BENZYL ESTER OF SUCCINIC ACID AS SOFTENER LANXESS DEUTSCHLAND GMBH (DE) 2017-04-12 EP disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-9080032-B2 Mixed alkyl benzyl esters of succinic acid used as plasticizers LANXESS DEUTSCHLAND GMBH (DE) 2015-07-14 US disclosed
US-20150114263-A1 MIXED ALKYL BENZYL ESTERS OF SUCCINIC ACID USED AS PLASTICIZERS LANXESS DEUTSCHLAND GMBH (DE) 2015-04-30 US disclosed
EP-2817366-A1 MIXED ALKLY BENZYL ESTERS OF SUCCINIC ACID USED AS PLASTICIZERS Lanxess Deutschland GmbH (DE) 2014-12-31 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
CN-101918375-A Benzodiazepinone compounds useful in the treatment of skin conditions UNIV MICHIGAN 2010-12-15 CN disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20080004387-A1 Alkyl benzyl esters of polycarboxylic acids LANXESS DEUTSCHLAND GMBH (DE) 2008-01-03 US disclosed
EP-1873198-A1 Mixtures of alkyl esters and benzyl esters of polycarboxylic acids Lanxess Deutschland GmbH (DE) 2008-01-02 EP disclosed
EP-0010154-A1 Soil insecticides containing substituted benzylcyclopropane carboxylates (I) as active compounds, preparation of these insecticides, control of soil insects by the esters (I) and substituted benzylcyclopropane carboxylates BAYER AG (DE) 1980-04-30 EP 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885TSHR 2217/4885CYP1A2 79/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885TSHR 2217/4885CYP1A2 79/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885TSHR 2217/4885CYP1A2 79/4885

“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.