SCHEMBL6834995

SCHEMBL6834995

C/C=C(\C)C(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
NAAA Q02083 2/20 0.42
HTT P42858 2/20 0.41
CYP2C19 P33261 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP19A1 P11511 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GPR35 Q9HC97 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL25410637 1.00 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL17159433 1.00 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL1048430 1.00 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL10602595 1.00 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL334029 1.00 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CA12
Water SCHEMBL28218882 0.98 EPHX1 (0.44) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL10605789 0.98 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL341198 0.98 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL4117455 0.93 EPHX1 (0.38) EPHX1NAAAHTTCYP2C19CA12
SCHEMBL10645483 0.90 TSHR (0.39) EPHX1NAAAHTTCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106808-A1 Processes for preparing calanolide a and intermediates thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-06-03 US disclosed
EP-1352907-A1 PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2003-10-15 EP 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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof CALR, CYP51A1, CYP4A11 EPHX1 2801/4885NAAA 2489/4885HTT 3546/4885

“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.