SCHEMBL13802402

SCHEMBL13802402

COc1ccc2c(c1)cc(C)n2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CCR2 P41597 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR9 P51686 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
PTGS2 P35354 1/20 0.42
DCTPP1 Q9H773 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NPBWR1 P48145 1/20 0.41

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
SCHEMBL6085520 0.84 CCR2 (0.56) MAPTKDM4EALDH1A1ALOX15CCR2
SCHEMBL6648744 0.83 PTGS2 (0.53) MAPTKDM4EALDH1A1ALOX15CCR2
SCHEMBL16818945 0.83 PTGDR2 (0.49) MAPTKDM4EALDH1A1ALOX15CCR2
SCHEMBL4198698 0.82 CCR2 (0.71) KDM4EALDH1A1CCR2MEN1KMT2A
SCHEMBL27204184 0.80 KDM4E (0.54) MAPTKDM4EALDH1A1ALOX15CCR2
SCHEMBL10237658 0.80 CCR2 (0.52) CCR2PTGDR2PPARGPTGS2
SCHEMBL9959522 0.79 NPSR1 (0.46) MAPTKDM4EALDH1A1CCR2PTGDR2
SCHEMBL6085466 0.79 CCR2 (0.67) MAPTKDM4EALDH1A1ALOX15CCR2
SCHEMBL9959557 0.79 PTGS2 (0.64) MAPTKDM4EALDH1A1ALOX15CCR2
Acetic Acid SCHEMBL3967081 0.79 CCR2 (0.63) MAPTALDH1A1CCR2PTGDR2MEN1

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 MAPT 6/4885KDM4E 4461/4885ALDH1A1 2808/4885

“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.