SCHEMBL4020945

SCHEMBL4020945

O=C(c1ccccc1)[C@@H]1CN(CCN2CCOCC2)C[CH][C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
NPC1 O15118 1/20 0.42
EGFR P00533 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4023183 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4027112 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4777631 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4779451 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4021931 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4022602 0.81 POLB (0.41) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4780139 0.81 HRH3 (0.42) ALDH1A1KMT2ALMNACYP2C19GAA
SCHEMBL4021517 0.81 HRH3 (0.42) ALDH1A1KMT2ALMNACYP2C19GAA
SCHEMBL4019459 0.80 RORC (0.57) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL4019955 0.80 RORC (0.57) ALDH1A1MAPTKMT2AKDM4ELMNA

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 ALDH1A1 258/4885MAPT 3009/4885KMT2A 2820/4885

“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.