SCHEMBL8220029

SCHEMBL8220029

CCC(CI)OC(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.44
NAAA Q02083 2/20 0.41
HTT P42858 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CTSK P43235 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15317876 0.81 EPHX1 (0.41) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL6887454 0.80 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL9694970 0.78 EPHX1 (0.43) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2986206 0.78 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2983911 0.78 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL12306829 0.78 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2981153 0.78 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2992790 0.78 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL6272147 0.78 NAAA (0.39) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL19669582 0.78 AKT1 (0.38) EPHX1NAAAHTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477989-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2012-07-25 EP disclosed
US-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-07-05 US disclosed
WO-2011034215-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 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 (1 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-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAF1, TFPI, TAF1L EPHX1 3636/4885NAAA 1285/4885HTT 1146/4885

“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.