SCHEMBL14902005

SCHEMBL14902005

CCCCCCCCOC(=O)NC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.66
ACHE P22303 12/20 0.58
NAAA Q02083 1/20 0.53
TSHR P16473 2/20 0.53
FAAH O00519 1/20 0.49

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
SCHEMBL11627977 0.92 ALDH1A1 (0.58) EPHX1ACHETSHR
SCHEMBL5936326 0.90 EPHX1 (0.73) EPHX1ACHENAAATSHRFAAH
SCHEMBL5936297 0.90 EPHX1 (0.73) EPHX1ACHENAAATSHRFAAH
SCHEMBL5936318 0.90 EPHX1 (0.73) EPHX1ACHENAAATSHRFAAH
SCHEMBL20597667 0.90 EPHX1 (0.73) EPHX1ACHENAAATSHRFAAH
SCHEMBL5138408 0.87 EPHX1 (0.69) EPHX1ACHENAAAFAAH
SCHEMBL14765424 0.85 EPHX1 (0.61) EPHX1ACHENAAATSHRFAAH
SCHEMBL9459327 0.84 EPHX1 (0.66) EPHX1ACHENAAATSHRFAAH
SCHEMBL9459137 0.84 EPHX1 (0.66) EPHX1ACHENAAATSHRFAAH
SCHEMBL9459205 0.84 EPHX1 (0.66) EPHX1ACHENAAATSHRFAAH

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-8742164-B2 Method for producing toluenedicarbamate, method for producing toluenediisocyanate, and toluenedicarbamate MITSUI CHEMICALS, INC. (JP) 2014-06-03 US disclosed
US-20130109881-A1 METHOD FOR PRODUCING TOLUENEDICARBAMATE, METHOD FOR PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE MITSUI CHEMICALS, INC. 2013-05-02 US 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-20130109881-A1 METHOD FOR PRODUCING TOLUENEDICARBAMATE, METHOD FOR PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE CPS1, TST, ALKBH3 EPHX1 1851/4885ACHE 219/4885NAAA 85/4885

“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.