SCHEMBL4586087

SCHEMBL4586087

O=C(Cl)c1cccc2oc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GLA P06280 2/20 0.53
MAOA P21397 6/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC14B O60729 1/20 0.45
CDC14A Q9UNH5 1/20 0.45
ALOX15 P16050 1/20 0.42
TTR P02766 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL9796733 0.86 ALDH1A1 (0.50) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL29685650 0.83 ALDH1A1 (0.54) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL516363 0.83 ALDH1A1 (0.54) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL30476189 0.81 ALDH1A1 (0.76) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL2012858 0.81 ALDH1A1 (0.76) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL11401526 0.81 ALDH1A1 (0.53) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL6238717 0.81 ALDH1A1 (0.53) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL4586057 0.80 ALOX5 (0.48) ALDH1A1GLAMAOAKDM4ECYP3A4
Silver SCHEMBL11471729 0.80 ALDH1A1 (0.51) ALDH1A1GLAMAOAKDM4ECYP3A4
SCHEMBL22645255 0.79 MAPT (0.53) ALDH1A1GLAMAOAMAPTCDC14B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 US disclosed
EP-1804786-A4 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-01-02 EP disclosed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 ALDH1A1 1418/4885GLA 3006/4885MAOA 1921/4885

“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.