SCHEMBL262233

SCHEMBL262233

C/C(=C\[C]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
KDM1A O60341 1/20 0.41
DEGS1 O15121 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.38
AKT1 P31749 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6801638 1.00 CES2 (0.43) CES2CES1KDM1ADEGS1TDP1
SCHEMBL262234 1.00 CES2 (0.43) CES2CES1KDM1ADEGS1TDP1
SCHEMBL31599571 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL10771652 0.77 KDM1A (0.41) CES2CES1KDM1ADEGS1TDP1
SCHEMBL8548467 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL5168262 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL4285852 0.76 NFE2L2 (0.48) CES2CES1TDP1TSHRALDH1A1
SCHEMBL1478038 0.76 ALDH1A1 (0.43) CES2CES1TDP1TSHRALDH1A1
SCHEMBL8759460 0.76 KDM1A (0.40) CES2CES1KDM1ADEGS1TDP1
SCHEMBL2550747 0.75 NQO2 (0.51) CES2CES1ALDH1A1PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9558863-B2 Electrically conductive polymers with enhanced conductivity KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2017-01-31 US disclosed
US-9243111-B2 Water-soluble electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2016-01-26 US disclosed
US-20150083977-A1 ELECTRICALLY CONDUCTIVE POLYMERS WITH ENHANCED CONDUCTIVITY KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-03-26 US disclosed
US-8920681-B2 Electrically conductive polymers with enhanced conductivity KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-12-30 US disclosed
US-20140077135-A1 WATER-SOLUBLE ELECTRICALLY CONDUCTIVE POLYMERS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2014-03-20 US disclosed
US-8535571-B2 Water-soluble electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
US-8536300-B2 Photocrosslinkable electrically conductive polymers KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-17 US disclosed
US-8134023-B2 Preparation of pregabalin and related compounds PFIZER INC (US) 2012-03-13 US disclosed
US-20120015412-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2012-01-19 US disclosed
US-8044227-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2011-10-25 US disclosed
EP-1831154-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS Warner-Lambert Company LLC (US) 2007-09-12 EP disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO disclosed
WO-2006000904-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2006-01-05 WO disclosed
US-20050283023-A1 Preparation of pregabalin and related compounds HU SHANGHUI 2005-12-22 US disclosed
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin BAO JIAN 2005-10-13 US disclosed
US-4310517-A Tumor-resolving and histolytic medicaments and their use TROPONWERKE GMBH & CO., KG (DE) 1982-01-12 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A CES2 4188/4885CES1 3395/4885KDM1A 3971/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 CES2 388/4885CES1 298/4885KDM1A 867/4885
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE CES2 1897/4885CES1 1027/4885KDM1A 2320/4885

“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.