SCHEMBL2233294

SCHEMBL2233294

COC1N(c2c(C)cc(C)cc2C)C(C)C(C)N1c1c(C)cc(C)cc1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2232934 0.79
SCHEMBL12751334 0.79 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL14776843 0.77 HRH3 (0.30)
SCHEMBL2230476 0.75 ELANE (0.35) ALDH1A1
SCHEMBL15069120 0.73 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL1012697 0.72 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL12691979 0.71 RAPGEF4 (0.30)
SCHEMBL819223 0.66 HRH3 (0.34) KDM4EALDH1A1
SCHEMBL811692 0.65 GABRA1 (0.38) ALDH1A1
SCHEMBL13510522 0.64 UGT2B17 (0.37) KDM4EALDH1A1

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-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8350051-B2 Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
US-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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 (4 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-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND BCKDK, PDK4, HK1 KDM4E 840/4885ALDH1A1 37/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT KDM4E 1423/4885ALDH1A1 113/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 KDM4E 2236/4885ALDH1A1 182/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C KDM4E 620/4885ALDH1A1 33/4885

“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.