SCHEMBL8535642

SCHEMBL8535642

O=C(O)CC1CCc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.58
DGAT1 O75907 1/20 0.58
HTR1A P08908 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CYP26A1 O43174 1/20 0.48
FFAR1 O14842 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
SCHEMBL467521 0.91 ACHE (0.55) CYP19A1DGAT1HTR1ASIGMAR1ACHE
SCHEMBL11842381 0.86 CYP19A1 (0.55) CYP19A1DGAT1HTR1ASIGMAR1ACHE
SCHEMBL29601990 0.86 CYP19A1 (0.54) CYP19A1DGAT1HTR1ASIGMAR1ACHE
SCHEMBL7672871 0.84 CYP19A1 (0.57) CYP19A1HTR1ASIGMAR1ACHEALDH1A1
SCHEMBL6695612 0.83 METAP1 (0.57) CYP19A1HTR1ASIGMAR1ACHESMN1; SMN2
SCHEMBL31374633 0.82 ALDH1A1 (0.52) CYP19A1DGAT1HTR1ASIGMAR1ACHE
SCHEMBL6644734 0.82 ALDH1A1 (0.52) CYP19A1DGAT1HTR1ASIGMAR1ACHE
SCHEMBL8536795 0.82 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1ACHEALDH1A1
SCHEMBL11734950 0.81 CYP19A1 (0.59) CYP19A1HTR1ASIGMAR1ACHEALDH1A1
SCHEMBL7340770 0.81 ALDH1A1 (0.51) CYP19A1DGAT1HTR1ASIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 EP disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 US disclosed
EP-2723332-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-30 EP disclosed
CN-103687595-A Novel compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2014-03-26 CN disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 WO disclosed
US-8063047-B2 Pyridazine compounds and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-22 US disclosed
US-20090029985-A1 PYRIDAZINE COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-29 US disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
EP-0496555-B1 Corrosion-inhibiting coating compositions CIBA GEIGY AG (CH) 1997-11-19 EP disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 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 (2 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT CYP19A1 832/4885DGAT1 1/4885HTR1A 3107/4885
US-20090029985-A1 PYRIDAZINE COMPOUNDS AND METHODS PSEN2, PSEN1, APP CYP19A1 2655/4885DGAT1 3899/4885HTR1A 751/4885

“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.