SCHEMBL1124530

SCHEMBL1124530

COC(=O)C(C)(C)c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP2A6 P11509 2/20 0.44
BRS3 P32247 1/20 0.41
KCNN4 O15554 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH5A1 P51649 2/20 0.39
ABAT P80404 2/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8974321 0.86 CNR1 (0.54) ALDH1A1CNR1CNR2BRS3KCNN4
SCHEMBL21649707 0.84 CNR1 (0.44) ALDH1A1CNR1CNR2BRS3KCNN4
SCHEMBL7043157 0.81 CNR2 (0.46) ALDH1A1CNR2EPHX2NR1H4CYP2A6
SCHEMBL5877921 0.80 MAPT (0.50) ALDH1A1CNR1CNR2EPHX2NR1H4
SCHEMBL29438261 0.80 THRB (0.56) ALDH1A1CYP1A2CA1CA2HPGD
SCHEMBL28818570 0.80 THRB (0.56) ALDH1A1CYP1A2CA1CA2HPGD
SCHEMBL28415231 0.79 BRS3 (0.48) ALDH1A1CNR1CNR2EPHX2NR1H4
SCHEMBL5326924 0.79 ALDH1A1 (0.48) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL3573740 0.79 CNR1 (0.53) ALDH1A1CNR1CNR2BRS3KCNN4
SCHEMBL1107149 0.79 CNR2 (0.57) ALDH1A1CNR1CNR2BRS3KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
EP-3010905-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
WO-2004043922-A1 METHOD OF PREPARATION OF TERFENADINE AND ITS DERIVATIVES ZENTIVA, A.S. (SK) 2004-05-27 WO disclosed
EP-0063004-A1 Secondary amines, processes for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1982-10-20 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 (5 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 ALDH1A1 598/4885CNR1 382/4885CNR2 200/4885
US-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 ALDH1A1 938/4885CNR1 3/4885CNR2 8/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 ALDH1A1 3425/4885CNR1 145/4885CNR2 167/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 ALDH1A1 1202/4885CNR1 162/4885CNR2 243/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 ALDH1A1 358/4885CNR1 963/4885CNR2 635/4885

“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.