SCHEMBL14774643

SCHEMBL14774643

CCOC(=O)CCc1cccc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
PKM P14618 1/20 0.53
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9437517 0.86 PKM (0.68) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2036741 0.86 MAPT (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29966973 0.85 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL392573 0.82 SMN1; SMN2 (0.85) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13322432 0.81 IAPP (0.54) SMN1; SMN2CYP1A2CYP2C19PKMALDH1A1
SCHEMBL29966651 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10672517 0.80 CDK4 (0.49) SMN1; SMN2ALDH1A1GAAMAPTNPSR1
SCHEMBL27644456 0.79 PARP1 (0.68) SMN1; SMN2CYP2C19ALDH1A1GAAMAPT
SCHEMBL7316097 0.78 PARP1 (0.50) ALDH1A1GAAMAPTNPSR1MAPK1
SCHEMBL6029685 0.78 CYP4F2 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 US disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 EP disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 WO disclosed
EP-2570125-A1 Ep1 receptor ligands Almirall, S.A. (ES) 2013-03-20 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-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR SMN1; SMN2 4136/4885CYP1A2 706/4885CYP3A4 1602/4885

“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.