SCHEMBL14543629

SCHEMBL14543629

Oc1ccc2c(c1)-c1c3c(cc4c1C(C2)NCC4)OCO3

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRCAP Q14761 1/20 0.73
KDM4E B2RXH2 3/20 0.66
HPGD P15428 3/20 0.66
POLB P06746 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 2/20 0.66
MCL1 Q07820 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
BCHE P06276 1/20 0.62
DYRK1A Q13627 2/20 0.59
DRD2 P14416 4/20 0.57
HSD17B10 Q99714 1/20 0.56
HTR2C P28335 4/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
DRD1 P21728 2/20 0.43

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
Anolobine SCHEMBL29393536 0.91 PTPRCAP (0.73) PTPRCAPKDM4EHPGDPOLBALDH1A1
Anolobine SCHEMBL30637512 0.91 PTPRCAP (0.73) PTPRCAPKDM4EHPGDPOLBALDH1A1
SCHEMBL31029804 0.86 PTPRCAP (0.76) PTPRCAPKDM4EHPGDPOLBALDH1A1
Anonaine SCHEMBL15800852 0.85 PTPRCAP (1.00) PTPRCAPKDM4EHPGDPOLBALDH1A1
Anonaine SCHEMBL30049091 0.85 PTPRCAP (1.00) PTPRCAPKDM4EHPGDPOLBALDH1A1
Anonaine SCHEMBL15800856 0.85 PTPRCAP (1.00) PTPRCAPKDM4EHPGDPOLBALDH1A1
SCHEMBL30637531 0.83 PTPRCAP (0.72) PTPRCAPKDM4EHPGDPOLBALDH1A1
SCHEMBL11891033 0.81 KDM4E (0.71) PTPRCAPKDM4EHPGDPOLBALDH1A1
SCHEMBL17302410 0.80 DRD2 (0.63) PTPRCAPKDM4EHPGDPOLBALDH1A1
Actinodaphnine SCHEMBL674832 0.80 KDM4E (1.00) PTPRCAPKDM4EHPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078144-A1 Agents for treating neurodegenerative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-05 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-20070078144-A1 Agents for treating neurodegenerative diseases HTT, NLN, CLN6 PTPRCAP 2043/4885KDM4E 3555/4885HPGD 1015/4885

“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.