SCHEMBL4888048

SCHEMBL4888048

C/C(C=O)=C\C1C(C(=O)OC2CC(C)CCC2C(C)C)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 8/20 0.41
HPGD P15428 2/20 0.41
CYP19A1 P11511 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX4 Q99571 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL4888060 1.00 EPHX1 (0.44) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL294471 0.91 EPHX1 (0.45) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL295262 0.89 EPHX1 (0.46) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1073398 0.87 EPHX1 (0.43) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1073394 0.87 EPHX1 (0.43) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL2128363 0.87 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1072054 0.86 EPHX1 (0.42) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL294434 0.86 EPHX1 (0.45) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL1072050 0.86 EPHX1 (0.42) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL294435 0.86 EPHX1 (0.45) EPHX1ALDH1A1HPGDCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
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 (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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT EPHX1 321/4885ALDH1A1 36/4885HPGD 522/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 EPHX1 478/4885ALDH1A1 863/4885HPGD 160/4885

“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.