SCHEMBL4964086

SCHEMBL4964086

CCOCc1ccc(COCC)c(COCC)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
P2RX7 Q99572 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
Hydrochloric Acid SCHEMBL7011471 0.84 CSNK2A1 (0.39)
SCHEMBL28629566 0.78 TYR (0.42) ALOX5TSHR
SCHEMBL133476 0.78 TSHR (0.48) KDM4ETSHRP2RX7
SCHEMBL7672436 0.77 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7672429 0.77 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2293511 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9628682 0.76 TSHR (0.48) KDM4ETSHRMRGPRX4
SCHEMBL8750417 0.76 DHFR (0.41) ALDH1A1TSHRMRGPRX4
SCHEMBL2599655 0.75 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6904094 0.75 LMNA (0.33) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B KDM4E 1259/4885ALDH1A1 2370/4885HPGD 4741/4885

“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.