SCHEMBL9950834

SCHEMBL9950834

CCOC(=O)CCCc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
ALOX5 P09917 2/20 0.55
CYP4Z1 Q86W10 3/20 0.54
CYP4F11 Q9HBI6 1/20 0.54
CYP4F12 Q9HCS2 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
CYP2D6 P10635 2/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
GABRA1 P14867 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 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
SCHEMBL9950954 0.88 GMNN (0.66) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL9960429 0.83 TSHR (0.46) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL846137 0.81 CYP4F2 (0.57) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL22334798 0.81 CYP4F2 (0.65) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL19643200 0.79 SMN1; SMN2 (0.74) SMN1; SMN2CYP2D6GMNNALDH1A1LMNA
SCHEMBL765000 0.79 CYP4F2 (0.62) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL765847 0.79 CYP4F2 (0.62) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL10289874 0.79 CYP4F2 (0.62) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11
SCHEMBL11718440 0.78 SMN1; SMN2 (0.60) CYP4F2CYP4A11ALOX5SMN1; SMN2ALDH1A1
SCHEMBL14947362 0.78 SMN1; SMN2 (0.51) CYP4F2CYP4A11ALOX5CYP4Z1CYP4F11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468716-B1 Process for producing bendamustine alkyl esters, bendamustine and derivatives of same HERAEUS DEUTSCHLAND GMBH & CO KG (DE) 2017-07-19 EP disclosed
US-8481751-B2 Process for the production of bendamustine alkyl ester, bendamustine, and derivatives thereof HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-20120165543-A1 PROCESS FOR THE PRODUCTION OF BENDAMUSTINE ALKYL ESTER, BENDAMUSTINE, AND DERIVATIVES THEREOF HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2012-06-28 US disclosed
EP-2468716-A1 Process for producing bendamustine alkyl esters, bendamustine and derivatives of same Heraeus Precious Metals GmbH & Co. KG (DE) 2012-06-27 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-20120165543-A1 PROCESS FOR THE PRODUCTION OF BENDAMUSTINE ALKYL ESTER, BENDAMUSTINE, AND DERIVATIVES THEREOF OTC, OAT, BCKDK CYP4F2 396/4885CYP4A11 2207/4885ALOX5 2060/4885

“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.