SCHEMBL3667760

SCHEMBL3667760

CCCCOc1ccc(CCC(=O)O)cc1OCCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PPARG P37231 3/20 0.54
RXRA P19793 1/20 0.54
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
FFAR4 Q5NUL3 3/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
FFAR1 O14842 5/20 0.50
PPARA Q07869 2/20 0.50
PPARD Q03181 1/20 0.50
BIRC5 O15392 1/20 0.49
LTB4R Q15722 2/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL3667217 0.92 LMNA (0.65) LMNAL3MBTL1PPARGRXRAPTGES
SCHEMBL13693266 0.88 RXRA (0.60) LMNAL3MBTL1PPARGRXRAALOX5
SCHEMBL15358891 0.88 HDAC1 (0.52) LMNAPPARGPTGESALOX5HDAC1
SCHEMBL11315400 0.87 PPARA (0.53) PPARGRXRAPTGESALOX5THRA
SCHEMBL11309367 0.87 PPARA (0.53) PPARGRXRAPTGESALOX5THRA
SCHEMBL15255728 0.87 HDAC1 (0.51) LMNAL3MBTL1PPARGPTGESALOX5
SCHEMBL2840795 0.86 FFAR4 (0.55) LMNAL3MBTL1HDAC1HDAC2FFAR4
SCHEMBL15255731 0.85 HDAC1 (0.50) LMNAL3MBTL1PPARGPTGESALOX5
SCHEMBL3693650 0.85 LMNA (0.60) LMNAL3MBTL1HDAC1HDAC2FFAR4
SCHEMBL1270107 0.85 HDAC1 (0.53) LMNAL3MBTL1PPARGRXRAHDAC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639215-B1 PREPARATION METHOD FOR SALTS OF KUKOAMINE B THE FIRST AFFILIATED HOSPITAL THIRD MILITARY MEDICAL UNIVERSTY PLA (CN) 2017-10-11 EP disclosed
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed
US-9365504-B2 Salts of kukoamine B, preparation method and use thereof THE FIRST AFFILIATED HOSPITAL, THIRD MILITARY UNIVERSITY, PLA (CN) 2016-06-14 US disclosed
US-20130289112-A1 SALTS OF KUKOAMINE B, PREPARATION METHOD AND USE THEREOF TIANJIN CHASESUN PHARMACEUTICAL CO., LTD (CN) 2013-10-31 US disclosed
EP-2639215-A1 SALTS OF KUKOAMINE B, PREPARATION METHOD AND USE THEREOF The First Affiliated Hospital, Third Military Medical Universty, PLA (CN) 2013-09-18 EP disclosed
WO-2013072071-A1 MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-23 WO disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 LMNA 1820/4885L3MBTL1 3947/4885PPARG 542/4885
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 LMNA 935/4885L3MBTL1 4083/4885PPARG 729/4885
US-20130289112-A1 SALTS OF KUKOAMINE B, PREPARATION METHOD AND USE THEREOF TLR4, BDKRB1, KLKB1 LMNA 2099/4885L3MBTL1 2984/4885PPARG 3596/4885

“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.