SCHEMBL12795802

SCHEMBL12795802

CC(F)(F)c1cc(N)ccc1N1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ATAD2 Q6PL18 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
AKR1C3 P42330 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
YWHAG P61981 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
SCHEMBL77167 0.89 GAA (0.42) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL78325 0.84 HSD17B10 (0.44) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL5489288 0.78 GAA (0.46) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL76589 0.78 ALDH1A1 (0.45) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL76351 0.78 KMT2A (0.58) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL85665 0.77 ALDH1A1 (0.44) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL5425961 0.77 KMT2A (0.57) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL22816934 0.75 ALDH1A1 (0.60) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL5389284 0.74 NR4A1 (0.49) HSD17B10KMT2AALDH1A1GAAMEN1
SCHEMBL3866085 0.73 HSD17B10 (0.59) HSD17B10KMT2AALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 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 (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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 HSD17B10 2651/4885KMT2A 3173/4885ALDH1A1 1828/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 HSD17B10 1254/4885KMT2A 2089/4885ALDH1A1 593/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB HSD17B10 1922/4885KMT2A 3212/4885ALDH1A1 339/4885

“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.