SCHEMBL5065124

SCHEMBL5065124

Nc1cc(F)c(OCc2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.52
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.42
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL9823890 0.83 KDM1A (0.50) KDM1AMAOBMAOATHRATHRB
SCHEMBL16744668 0.82 ALDH1A1 (0.47) KDM1AMAOBMAOAGAAMAPT
SCHEMBL12799710 0.81 KDM1A (0.49) KDM1AMAOBMAOAGAAMAPT
SCHEMBL1017228 0.81 KDM1A (0.54) KDM1AMAOBMAOAGAAMAPT
Hydrochloric Acid SCHEMBL16738005 0.81 ALDH1A1 (0.49) KDM1AMAOBMAOAGAAMAPT
SCHEMBL3920253 0.81 KDM1A (0.59) KDM1AMAOBMAOAGAAMAPT
SCHEMBL2895125 0.81 KDM1A (0.49) KDM1AMAOBMAOAGAAMAPT
SCHEMBL26942219 0.80 KDM1A (0.61) KDM1AMAOBMAOAMAPTL3MBTL1
SCHEMBL2303383 0.80 KDM1A (0.48) KDM1AMAOBMAOASMN1; SMN2THRA
SCHEMBL11133548 0.79 MAOB (0.53) MAOBMAOAGAAMAPTRAB9A

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-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP KDM1A 3602/4885MAOB 3446/4885MAOA 3922/4885

“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.