SCHEMBL5497437

SCHEMBL5497437

CC(Cl)OC(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CYP19A1 P11511 3/20 0.38
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2C19 P33261 2/20 0.33
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL654885 0.98 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCA12
SCHEMBL16610485 0.98 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCA12
SCHEMBL27280420 0.96 EPHX1 (0.35) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL30313871 0.92 MEN1 (0.31) CYP19A1
SCHEMBL3483069 0.83 EPHX1 (0.41) EPHX1CYP19A1NAAAHTTCA12
SCHEMBL6580932 0.83 KAT2B (0.35) TSHRHPGDNPSR1
SCHEMBL24147621 0.83 EPHX1 (0.40) EPHX1CYP19A1NAAAHTTCA12
SCHEMBL16713332 0.82
SCHEMBL16731836 0.82 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCA12
Cilexetil SCHEMBL3483374 0.82 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCA12

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
EP-1095947-B1 NOVEL ANTIBACTERIAL COMPOUNDS SANKYO CO (JP) 2007-03-14 EP disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
US-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-09 US disclosed
EP-1437352-A1 BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP disclosed
US-4939253-A 2-oxoazetidin-1-yloxy acetic acids and analogs E. R. SQUIBB & SONS, INC. (US) 1990-07-03 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 (3 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 EPHX1 2620/4885CYP19A1 576/4885NAAA 4762/4885
US-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof SI, MLNR, FABP2 EPHX1 3777/4885CYP19A1 3081/4885NAAA 1956/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 EPHX1 769/4885CYP19A1 2241/4885NAAA 220/4885

“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.