SCHEMBL48012

SCHEMBL48012

COC(=O)C1=CCC(=O)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
THRB P10828 1/20 0.37
CHRM1 P11229 1/20 0.37
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA7 P43166 6/20 0.36
CA9 Q16790 6/20 0.36
CA14 Q9ULX7 6/20 0.36
BLM P54132 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
XDH P47989 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7035636 0.98 LMNA (0.36) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL11229915 0.81 NFKB1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL3205528 0.81 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL1682242 0.81 CA12 (0.43) LMNACA12CA1CA2CA7
SCHEMBL47924 0.79 CA12 (0.42) LMNACA12CA1CA2CA7
SCHEMBL3110549 0.78 SERPINE1 (0.37) TDP1TSHR
SCHEMBL28926409 0.78 CHRM3 (0.33) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL8417905 0.78 TSHR (0.35) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL8187265 0.78 LMNA (0.44) LMNACA1CA2TDP1KDM4E
SCHEMBL47935 0.77 ALDH1A1 (0.43) LMNACHRM1TDP1KDM4EPOLB

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 1250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393552-B1 A CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2017-12-20 EP claimed
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US claimed
EP-2253304-B1 Nifedipine-based compositions for anti-wrinkle treatments ANTROPOLI CARMINE (IT) 2015-11-11 EP claimed
EP-2667897-A1 PARABEN COMPOSITIONS Anterios, Inc. (US) 2013-12-04 EP claimed
US-20120321571-A1 PARABEN COMPOSITIONS ANTERIOS, INC. (US) 2012-12-20 US claimed
WO-2012103040-A1 PARABEN COMPOSITIONS ANTERIOS, INC. (US) 2012-08-02 WO claimed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US claimed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP claimed
EP-2253304-A2 Nifedipine-based compositions for anti-wrinkle treatments Antropoli, Carmine (IT) 2010-11-24 EP claimed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 WO claimed
EP-1558227-B1 INJECTABLE 2,6-DIISOPROPYLPHENOL-CONTAINING ANESTHETIC COMPOSITION AND METHODS DAEWON PHARM CO LTD (KR) 2006-10-04 EP claimed
EP-1558227-A1 INJECTABLE 2,6-DIISOPROPYLPHENOL-CONTAINING ANESTHETIC COMPOSITION AND METHODS Centurion, Inc. (KR) 2005-08-03 EP claimed
WO-2004032910-A1 INJECTABLE 2,6-DIISOPROPYLPHENOL-CONTAINING ANESTHETIC COMPOSITION AND METHODS CENTURION, INC. (KR) 2004-04-22 WO claimed
US-20040067919-A1 Injectable 2, 6-diisopropylphenol-containing anesthetic composition and methods CENTURION INC. 2004-04-08 US claimed
EP-0532465-B1 Protein fraction for cosmetic and dermatological care of the skin PENTAPHARM AG (CH) 2002-07-10 EP claimed
US-6099990-A MIXING A LIGNIN MATERIAL WITH A SODIUM SULFATE SALT, HEATING THE LIGNIN AND SALT MOTOROLA, INC. (US) 2000-08-08 US claimed
US-5637304-A Cosmetical or pharmaceutical compositions comprising deacylated glycerophospholipids for topical use FLARER S.A. PHARMACEUTICAL FINE CHEMICALS (CH) 1997-06-10 US claimed
US-5322839-A Isolated from seeds of legumes PENTAPHARM AG 1994-06-21 US claimed
EP-0532465-A1 Protein fraction for cosmetic and dermatological care of the skin Pentapharm A.G. (CH) 1993-03-17 EP claimed
US-4410546-A 4-BUTYL-OR PENTYLCYCLOHEXANECARBOXYLIC ACID HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1983-10-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE ADORA2A, ADORA1, ADORA3 LMNA 4003/4885CHRM3 134/4885CHRM2 237/4885

“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.