SCHEMBL3779050

SCHEMBL3779050

COc1cc(Cl)c(C(OC(=O)C(F)(F)F)c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
P2RX1 P51575 1/20 0.34

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
SCHEMBL3785779 0.84 MAPT (0.43) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL13018229 0.84 MAPT (0.43) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL13018236 0.81 MAPT (0.43) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL3783970 0.80 ABL1 (0.40) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL13018237 0.78 GAA (0.39) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL16525942 0.75 MGLL (0.38) MAPTRAB9AS1PR1S1PR3MEN1
SCHEMBL3787689 0.75 MAPT (0.43) MAPTLMNAMEN1KMT2A
SCHEMBL13018239 0.74 IDO1 (0.44) MAPTLMNAIDO1MEN1KMT2A
SCHEMBL3781334 0.72 LMNA (0.44) MAPTRAB9AMDM2S1PR1S1PR3
SCHEMBL3788314 0.72 TP53 (0.44) MAPTRAB9AMDM2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015027137-A1 IMPROVED SYNTHESIS OF CAPURAMYCIN AND ITS ANALOGUES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-02-26 WO disclosed
US-7858825-B2 Acid and base stable diphenylmethanol derivatives and methods of use COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20080200719-A1 Acid and base stable diphenylmethanol derivatives and methods of use COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-08-21 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-20080200719-A1 Acid and base stable diphenylmethanol derivatives and methods of use DPYD, DHODH, DAO MAPT 1367/4885RAB9A 2848/4885MDM2 770/4885

“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.