SCHEMBL158116

SCHEMBL158116

C[CH]C(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
NAAA Q02083 2/20 0.43
HTT P42858 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL7690587 1.00 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL7694142 1.00 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL4679499 0.98 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
SCHEMBL4674368 0.93
SCHEMBL4673392 0.88
SCHEMBL19244484 0.83 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
SCHEMBL20856638 0.83 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
SCHEMBL872686 0.83 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
SCHEMBL872685 0.83 EPHX1 (0.44) EPHX1NAAAHTTCA12CA1
Ethane SCHEMBL28092403 0.82 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1

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 1678 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107073002-B The nucleoside derivates that the 4 '-vinyl as respiratory syncytial virus (RSV) rna replicon inhibitor replace 里博科学有限责任公司 2019-10-15 CN claimed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP claimed
CN-107073002-A The nucleoside derivates replaced as 4 ' vinyl of respiratory syncytial virus (RSV) rna replicon inhibitor 里博科学有限责任公司 2017-08-18 CN claimed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US claimed
US-7087597-B1 Pyrimidine 5-carboxamide compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-08 US claimed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP claimed
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO claimed
WO-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 WO disclosed
CN-118344346-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-16 CN disclosed
CN-113038948-B Heterocyclic compounds 武田药品工业株式会社 2024-07-12 CN disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
CN-118290408-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-05 CN disclosed
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-04 US disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed
EP-0008540-B1 2-ARYL-1,3-INDANDIONE DERIVATIVES AND COMPOSITIONS COMPRISING THEM FOR CONTROLLING ECTOPARASITIC ACARINA UNION CARBIDE CORPORATION (US) 1984-10-24 EP disclosed
US-4386086-A ENOL DERIVATIVES OF 2-ARYL-1,3-INDANDIONES UNION CARBIDE CORPORATION (US) 1983-05-31 US disclosed
EP-0008540-A2 2-aryl-1,3-indandione derivatives and compositions comprising them for controlling ectoparasitic acarina UNION CARBIDE CORPORATION (US) 1980-03-05 EP disclosed
US-4104043-A Esters of 3-hydroxyindone compounds as herbicides and miticides UNION CARBIDE CORPORATION (US) 1978-08-01 US disclosed
US-4091006-A MITICIDES AND HERBICIDES UNION CARBIDE CORPORATION (US) 1978-05-23 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-20150284358-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 EPHX1 897/4885NAAA 2030/4885HTT 747/4885
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPY2R EPHX1 1663/4885NAAA 969/4885HTT 479/4885

“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.