SCHEMBL1070232

SCHEMBL1070232

CCC(C)OC(=O)C(CN(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.50
EGFR P00533 4/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOB P27338 1/20 0.46
LTA4H P09960 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL1070256 0.90 ALOX5 (0.53) ALOX5EGFRLMNAL3MBTL1MAOB
SCHEMBL1069511 0.86 LMNA (0.60) ALOX5EGFRLMNAL3MBTL1ALDH1A1
SCHEMBL22304944 0.85 ALDH1A1 (0.52) LMNAALDH1A1HSD17B10
SCHEMBL1069341 0.84 LTA4H (0.53) ALOX5EGFRLTA4H
SCHEMBL1071486 0.84 ALOX5 (0.49) ALOX5EGFRLMNAL3MBTL1
SCHEMBL1070343 0.83 ALOX5 (0.48) ALOX5EGFRLMNAL3MBTL1ALDH1A1
SCHEMBL6123064 0.81 PRKCA (0.51) ALOX5EGFRMAOBLTA4H
SCHEMBL6123263 0.81 LMNA (0.46) ALOX5EGFRLMNAL3MBTL1ALDH1A1
SCHEMBL6122799 0.81 PRKCA (0.53) ALOX5EGFRMAOB
SCHEMBL6123338 0.80 LMNA (0.48) ALOX5EGFRLMNAL3MBTL1ALDH1A1

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-20150183722-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein CIPLA LIMITED (IN) 2015-07-02 US disclosed
US-9012689-B2 Process for the preparation of O-desmethyl venlafaxine and intermediate for use therein CIPLA LIMITED (IN) 2015-04-21 US disclosed
US-20120157544-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein CIPLA LIMITED (IN) 2012-06-21 US disclosed
EP-2454228-A2 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2012-05-23 EP disclosed
WO-2011007136-A2 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2011-01-20 WO 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 (2 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-20150183722-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein SLC6A2, SLC6A3, MAOA ALOX5 1190/4885EGFR 2901/4885LMNA 1856/4885
US-20120157544-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein SLC6A2, SLC6A3, MAOA ALOX5 1190/4885EGFR 2901/4885LMNA 1856/4885

“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.