SCHEMBL5567460

SCHEMBL5567460

CCOC(=O)c1cc2cc3ccccc3cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 3/20 1.00
RAB9A P51151 3/20 1.00
LMNA P02545 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NPC1 O15118 2/20 1.00
MEN1 O00255 1/20 1.00
GLA P06280 1/20 1.00
GAA P10253 1/20 1.00
MAPT P10636 1/20 1.00
KMT2A Q03164 1/20 1.00
ATM Q13315 1/20 1.00
HSD17B10 Q99714 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
HTT P42858 1/20 0.66
ALOX15 P16050 1/20 0.63
HRH3 Q9Y5N1 1/20 0.62
MMP13 P45452 8/20 0.60
MMP2 P08253 6/20 0.60

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
SCHEMBL42002 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL29580772 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL30148368 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ALMNA
Hydrochloric Acid SCHEMBL16115604 0.86 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ALMNA
Hydrochloric Acid SCHEMBL9036642 0.86 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL419130 0.83 MMP13 (0.77) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL7681890 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL18131118 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HPGDRAB9ALMNA
Indole-2-Carboxylic Acid SCHEMBL14158279 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL22939051 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK KDM4E 1508/4885ALDH1A1 4597/4885HPGD 4309/4885

“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.