SCHEMBL5377600

SCHEMBL5377600

C/C(=C\C1(C(=O)OC2CCCCC2)CC1(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CYP2C19 P33261 1/20 0.33
NAAA Q02083 1/20 0.32
CYP19A1 P11511 1/20 0.31
HTT P42858 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL5377605 1.00 EPHX1 (0.34) EPHX1THRATHRBCYP2C19NAAA
SCHEMBL5370641 0.82 EPHX1 (0.34) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL5370637 0.82 EPHX1 (0.34) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL5372644 0.81 EPHX1 (0.36) EPHX1THRATHRBCYP2C19NAAA
SCHEMBL5372637 0.81 EPHX1 (0.36) EPHX1THRATHRBCYP2C19NAAA
SCHEMBL5370227 0.79 MEN1 (0.34) KMT2A
SCHEMBL5370232 0.79 MEN1 (0.34) KMT2A
SCHEMBL1087451 0.73 EPHX1 (0.41) EPHX1CYP2C19NAAACYP19A1HTT
SCHEMBL1087894 0.73 EPHX1 (0.41) EPHX1CYP2C19NAAACYP19A1HTT
SCHEMBL5370700 0.72

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
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 EPHX1 478/4885THRA 4374/4885THRB 3765/4885

“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.