SCHEMBL1759055

SCHEMBL1759055

OCc1ncccc1OCCF

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE5A O76074 2/20 0.38
PDE10A Q9Y233 5/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
SLC18A3 Q16572 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14971192 0.81 CYP2C9 (0.47) ALDH1A1L3MBTL1PDE5ARAB9AMEN1
SCHEMBL30880777 0.79 LOX (0.45) ALDH1A1L3MBTL1KDM4EMAPK1PDE5A
SCHEMBL21730199 0.79 LOX (0.45) ALDH1A1L3MBTL1KDM4EMAPK1PDE5A
SCHEMBL9490121 0.78 LMNA (0.48) ALDH1A1L3MBTL1KDM4EPDE5AMEN1
SCHEMBL15432573 0.78 KDM4E (0.48) ALDH1A1L3MBTL1KDM4EMAPK1PDE5A
SCHEMBL9118185 0.78 LMNA (0.48) ALDH1A1L3MBTL1KDM4EPDE5AMEN1
SCHEMBL2645036 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1PDE5ARAB9AMEN1
SCHEMBL30851832 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ERAB9AMEN1
SCHEMBL506497 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1PDE10ARAB9AMEN1
SCHEMBL6628054 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EMAPK1RAB9A

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-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
EP-2493513-A1 RADIOLABELLED PDE10 LIGANDS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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 (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-20120213703-A1 RADIOLABELLED PDE10 LIGANDS PDE9A, PDE10A, PDE7A ALDH1A1 1265/4885L3MBTL1 4276/4885KDM4E 1160/4885

“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.