SCHEMBL3785779

SCHEMBL3785779

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ABCB11 O95342 1/20 0.38
MDM2 Q00987 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
P2RX1 P51575 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL13018229 1.00 MAPT (0.43) MAPTRAB9ALMNATP53HTT
SCHEMBL13018236 0.85 MAPT (0.43) MAPTRAB9ALMNATP53HTT
SCHEMBL3779050 0.84 MAPT (0.39) MAPTRAB9ALMNATP53HTT
SCHEMBL3783970 0.84 ABL1 (0.40) MAPTRAB9ALMNATP53HTT
SCHEMBL3787689 0.80 MAPT (0.43) MAPTLMNAMEN1KMT2A
SCHEMBL13018237 0.80 GAA (0.39) MAPTRAB9ATP53CNR1CNR2
SCHEMBL16525942 0.80 MGLL (0.38) MAPTRAB9ACNR1CNR2S1PR1
SCHEMBL13018239 0.78 IDO1 (0.44) MAPTLMNACNR1IDO1ABCB11
SCHEMBL3781334 0.76 LMNA (0.44) MAPTRAB9ALMNATP53HTT
SCHEMBL13018240 0.76 LMNA (0.44) MAPTRAB9ALMNATP53HTT

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-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 2848/4885LMNA 693/4885

“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.