SCHEMBL4033640

SCHEMBL4033640

Cc1oc(-c2ccccc2)nc1COc1cccc(CCl)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.79
PPARG P37231 16/20 0.58
PPARA Q07869 16/20 0.58
FFAR1 O14842 1/20 0.56
CYP2C9 P11712 4/20 0.54
KCNH2 Q12809 4/20 0.54
MAPT P10636 1/20 0.51

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
SCHEMBL7564833 0.91 KDR (0.65) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4034790 0.88 KDR (1.00) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL14382593 0.87 KDR (0.77) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL6160505 0.87 KDR (0.77) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4744450 0.87 KDR (0.61) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4035773 0.86 FFAR1 (0.69) KDRPPARGPPARAFFAR1MAPT
SCHEMBL5377181 0.86 KDR (0.62) KDRPPARGPPARAFFAR1MAPT
SCHEMBL5399780 0.86 KDR (0.65) KDRPPARGPPARAFFAR1MAPT
SCHEMBL8799156 0.86 KDR (0.76) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL2080844 0.86 KDR (0.65) KDRPPARGPPARAFFAR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20050014813-A1 Process for production of pyrazole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO 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-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A KDR 3013/4885PPARG 401/4885PPARA 152/4885
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK KDR 1328/4885PPARG 593/4885PPARA 156/4885
US-20050014813-A1 Process for production of pyrazole compounds REN, CYP11B1, CYP11B2 KDR 2304/4885PPARG 395/4885PPARA 266/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDR 2335/4885PPARG 536/4885PPARA 519/4885

“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.