SCHEMBL2233257

SCHEMBL2233257

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2OC(C)C)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1012697 0.79 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL18649218 0.76 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL13038554 0.76 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL1010853 0.75 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL1012642 0.75 MEN1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL10029427 0.72 HRH3 (0.37) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL2231171 0.72 HRH3 (0.31) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL2230959 0.71 GABRA1 (0.36) ALDH1A1
SCHEMBL21562371 0.71 ALDH1A1 (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL14246510 0.71 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTSMN1; SMN2

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 ALDH1A1 37/4885POLB 1435/4885MAPT 3174/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT ALDH1A1 113/4885POLB 214/4885MAPT 3552/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 ALDH1A1 182/4885POLB 535/4885MAPT 4015/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C ALDH1A1 33/4885POLB 2095/4885MAPT 4621/4885

“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.