SCHEMBL13185342

SCHEMBL13185342

CCc1ccc(F)c(OCC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GRM2 Q14416 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL21534013 0.85 CYP4F2 (0.41) CYP4F2CYP4A11
SCHEMBL69266 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL13160935 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL8377141 0.82 HTT (0.49) ALDH1A1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL16422052 0.81 CA2 (0.47) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL26098709 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL68711 0.81 KDM4E (0.46) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL14531988 0.81 CYP4F2 (0.41) CYP4F2CYP4A11
SCHEMBL68924 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL19602414 0.79 CSNK2A1 (0.44) ALDH1A1MAPTKDM4EMEN1USP2

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-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 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-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885MAPT 3533/4885KDM4E 2058/4885

“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.