SCHEMBL1240113

SCHEMBL1240113

CC([O])OC(=O)OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
CYP19A1 P11511 3/20 0.41
NAAA Q02083 2/20 0.40
HTT P42858 1/20 0.39
CYP2C19 P33261 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 2/20 0.33

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
SCHEMBL1024204 0.86 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
Cilexetil SCHEMBL3483374 0.86 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16731836 0.86 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL1240114 0.84 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL3483069 0.83 EPHX1 (0.41) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16622507 0.82 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL305826 0.82 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16840154 0.82 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16610485 0.82 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL6896991 0.82 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341047-B1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2014-10-15 EP claimed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP claimed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US claimed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US claimed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US claimed
US-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US claimed
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US claimed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
EP-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US claimed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO claimed
US-5668159-A ANTICOAGULANTS FOR CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-09-16 US claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO 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 (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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 EPHX1 2604/4885CYP19A1 4652/4885NAAA 1489/4885
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B EPHX1 1876/4885CYP19A1 2579/4885NAAA 4174/4885
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB EPHX1 639/4885CYP19A1 2057/4885NAAA 3435/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 EPHX1 3379/4885CYP19A1 3213/4885NAAA 2780/4885

“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.