SCHEMBL1021747

SCHEMBL1021747

O=C(NCCCCCCNC(=O)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9460406 0.93 FAAH (0.60) FAAHKDM4E
SCHEMBL9460914 0.90 FAAH (0.54) FAAHKMT2A
SCHEMBL2316094 0.85 KDM4E (0.44) FAAHKDM4EALDH1A1GAAKMT2A
SCHEMBL2322172 0.81 KDM4E (0.46) KDM4EALDH1A1GAAKMT2A
SCHEMBL1952636 0.79 ALOX5 (0.47) GAA
SCHEMBL2316091 0.78 KDM4E (0.46) KDM4EALDH1A1GAAKMT2A
SCHEMBL2316100 0.78 KDM4E (0.46) KDM4EALDH1A1GAAKMT2A
SCHEMBL17350557 0.78 HTT (0.47) KDM4EALDH1A1GAAKMT2A
SCHEMBL981360 0.78 MGLL (0.56) FAAHALDH1A1
SCHEMBL1834986 0.78 FAAH (0.58) FAAH

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
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR FAAH 950/4885KDM4E 714/4885ALDH1A1 906/4885

“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.