SCHEMBL6508563

SCHEMBL6508563

COC(=O)c1ccc(F)c(N2CCC(O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
WDR5 P61964 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
GAA P10253 1/20 0.42
CYP2C9 P11712 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
SCHEMBL381764 0.89 HPGD (0.57) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6500337 0.88 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6505327 0.85 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL30014756 0.82 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL382272 0.82 ALDH1A1 (0.59) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1096145 0.82 ALDH1A1 (0.59) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL383205 0.81 MAPT (0.57) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6507428 0.80 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2854791 0.79 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2854794 0.79 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885ALDH1A1 1967/4885NPC1 3633/4885

“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.