SCHEMBL9960429

SCHEMBL9960429

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
GABRA1 P14867 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLC2A1 P11166 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
CYP4Z1 Q86W10 2/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40

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
SCHEMBL9960450 0.89 SMN1; SMN2 (0.61) TSHRSMN1; SMN2ALDH1A1GMNNLMNA
SCHEMBL9950834 0.83 CYP4F2 (0.57) TSHRSMN1; SMN2ALDH1A1GMNNLMNA
SCHEMBL12714865 0.78 TSHR (0.51) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL1613291 0.78 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1CYP4Z1CYP4F11
SCHEMBL11091345 0.78 SMN1; SMN2 (0.56) TSHRSMN1; SMN2HDAC6PKMALOX5
SCHEMBL6382023 0.77 ALDH1A1 (0.63) TSHRSMN1; SMN2ALDH1A1GMNNLMNA
SCHEMBL19643200 0.76 SMN1; SMN2 (0.74) TSHRSMN1; SMN2ALDH1A1GMNNLMNA
SCHEMBL31329304 0.76 ALOX5 (0.55) TSHRSMN1; SMN2ALDH1A1LMNACYP2D6
SCHEMBL27481392 0.75 TSHR (0.51) TSHRSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL370678 0.75 HDAC6 (0.58) TSHRSMN1; SMN2ALDH1A1MAPTHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TSHR 3563/4885SMN1; SMN2 2840/4885ALDH1A1 149/4885

“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.