SCHEMBL4096057

SCHEMBL4096057

COc1cc(Cl)ccc1OCCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
KDR P35968 2/20 0.53
FGFR1 P11362 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
THRB P10828 1/20 0.52
FYN P06241 1/20 0.51
SRC P12931 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HRH1 P35367 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL12448364 0.83 KDM4E (0.51) KDM4ESMN1; SMN2
SCHEMBL6651402 0.82 LMNA (0.52) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL9428210 0.80 ADRA1B (0.47) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL30462841 0.80 FDPS (0.65) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL29038419 0.80 FDPS (0.65) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL28445735 0.80 MEN1 (0.58) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL6652980 0.79 KDM4E (0.53) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL12448363 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL6729089 0.78 KDM4E (0.52) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL5103081 0.78 EHMT2 (0.50) MEN1KMT2AKDM4E

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-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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 (2 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL EGFR 95/4885KDR 584/4885FGFR1 402/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 EGFR 388/4885KDR 974/4885FGFR1 732/4885

“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.