SCHEMBL3922600

SCHEMBL3922600

OC(CCCl)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ADRB3 P13945 5/20 0.46
ADRB1 P08588 4/20 0.46
ADRB2 P07550 2/20 0.46
SLC2A1 P11166 2/20 0.44
IDO1 P14902 2/20 0.43
OPRK1 P41145 2/20 0.42
ACP3 P15309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3146631 1.00 LMNA (0.46) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL3156406 0.86 IDO1 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL281883 0.86 IDO1 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL282798 0.86 IDO1 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL18548557 0.85 ADRB3 (0.46) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL29493206 0.85 ADRB3 (0.46) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL98267 0.84 ADRB3 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL1560927 0.84 ADRB3 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL3917396 0.84 ADRB3 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1
SCHEMBL13849930 0.83 ADRB1 (0.48) LMNAADRB3ADRB1ADRB2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-3070087-A1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
EP-2739625-B1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-20 EP disclosed
US-9108981-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 US disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 US disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
CN-101277933-A Substituted propylamine derivatives and methods of their use WYETH CORP (US) 2008-10-01 CN disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
CN-1267560-C Process for preparing stereoisomer carboxylate BASF AG (DE) 2006-08-02 CN disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
CN-1266904-A Process for preparing stereoisomer carboxylate BASF AG (DE) 2000-09-20 CN disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 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 (4 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A LMNA 3099/4885ADRB3 140/4885ADRB1 184/4885
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 LMNA 493/4885ADRB3 4773/4885ADRB1 4085/4885
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA LMNA 449/4885ADRB3 1241/4885ADRB1 1302/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 LMNA 493/4885ADRB3 4773/4885ADRB1 4085/4885

“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.