SCHEMBL6515872

SCHEMBL6515872

O=Cc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.34
NPFFR2 Q9Y5X5 2/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NOTUM Q6P988 1/20 0.32
APP P05067 1/20 0.32
KDR P35968 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31

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
SCHEMBL16610451 0.90 ALDH1A1 (0.42) KIF11ALDH1A1HSD17B10NPFFR1NPFFR2
SCHEMBL31611799 0.90 KIF11 (0.47) KIF11ALDH1A1HSD17B10NPFFR1NPFFR2
SCHEMBL6856881 0.81 KIF11 (0.46) KIF11ALDH1A1HSD17B10GRIA1GRIA2
SCHEMBL9340546 0.79 KIF11 (0.42) KIF11ALDH1A1HSD17B10NPFFR1NPFFR2
SCHEMBL816357 0.79 KIF11 (0.44) KIF11GRIA1GRIA2GRIA3GRIA4
SCHEMBL3517749 0.78 ERN1 (0.40) KIF11ALDH1A1NPFFR1NPFFR2
SCHEMBL1205444 0.78 ALDH1A1 (0.39) KIF11ALDH1A1NPFFR1NPFFR2KDR
SCHEMBL17341767 0.77 ERN1 (0.45) KIF11AKR1C3AKR1C2APP
SCHEMBL3316289 0.77 KIF11 (0.43) KIF11ALDH1A1HSD17B10NPFFR1NPFFR2
SCHEMBL40676 0.77 ALDH1A1 (0.57) KIF11ALDH1A1HSD17B10NPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-6777442-B2 Diphenyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030105078-A1 Diphenyl derivatives BAYER AKTIENGESSELLSCHAFT (DE) 2003-06-05 US disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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 (3 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 KIF11 3148/4885ALDH1A1 1543/4885HSD17B10 2378/4885
US-20030105078-A1 Diphenyl derivatives DPP4, DPP3, DPM1 KIF11 3593/4885ALDH1A1 922/4885HSD17B10 2922/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KIF11 2275/4885ALDH1A1 3501/4885HSD17B10 258/4885

“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.