SCHEMBL3756920

SCHEMBL3756920

Cc1nc2cccc(OCc3ccccc3)n2c(=O)c1CCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK14 Q16539 2/20 0.38
ENPP2 Q13822 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL2193253 0.79 L3MBTL1 (0.44) KDM5AKDM4CHTTCYP1A2TSHR
SCHEMBL9741854 0.77 HTT (0.63) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL2193763 0.71 ATP4A (0.55) ALDH1A1KDM5AKDM4CHTTCYP1A2
SCHEMBL795384 0.71 ATP4A (0.62) CYP1A2CYP2C9CYP3A4CYP2C19MAPK14
SCHEMBL11464701 0.70 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL1444060 0.69 ENPP2 (0.65) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL11365039 0.69 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10HTT
Hydrochloric Acid SCHEMBL2049884 0.68 ENPP2 (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL11363269 0.66 HTT (0.59) ALDH1A1KDM4EHPGDHSD17B10KDM5A
SCHEMBL11361275 0.65 HTT (0.57) ALDH1A1KDM4EHPGDHSD17B10HTT

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-20100298566-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-11-25 US claimed
WO-2009060297-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2009-05-14 WO claimed

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-20100298566-A1 PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES AVPR2, AVPR1A, AVPR1B ALDH1A1 355/4885KDM4E 2560/4885HPGD 561/4885

“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.