SCHEMBL2940862

SCHEMBL2940862

CCOC(=O)c1ccc(CNCCNCc2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.77
HTT P42858 2/20 0.60
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
NAMPT P43490 3/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL13378300 0.93 SMN1; SMN2 (0.72) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL9307805 0.91 SMN1; SMN2 (0.68) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL25232330 0.90 SMN1; SMN2 (0.77) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL11988605 0.84 SMN1; SMN2 (0.69) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL4712796 0.84 SMN1; SMN2 (0.68) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL3310683 0.84 LMNA (0.64) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL9100419 0.83 SMN1; SMN2 (0.59) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL7322209 0.83 HTT (0.73) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL28120177 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HTTCA1CA2CA12
SCHEMBL9125949 0.81 HTT (0.67) SMN1; SMN2HTTCA1CA2CA12

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-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG SMN1; SMN2 2922/4885HTT 2378/4885CA1 438/4885

“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.