SCHEMBL831460

SCHEMBL831460

CCOC(=O)c1c(CC(C)C)cc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
RORC P51449 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL831044 0.93 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL829769 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL831887 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL839635 0.85 DHODH (0.42) MAPTPOLBPSEN1PSEN2APH1B
SCHEMBL830007 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL829506 0.84 DHODH (0.41) MAPTPOLBPSEN1PSEN2APH1B
Potassium Ion SCHEMBL829507 0.84 PTGER1 (0.41) ALDH1A1L3MBTL1PSEN1PSEN2APH1B
SCHEMBL832501 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL839634 0.79 DPP4 (0.46) MAPTKDM4EPOLBSMN1; SMN2ADORA3
SCHEMBL830771 0.78 DPP4 (0.45) MAPTKDM4EPOLBSMN1; SMN2ADORA3

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-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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 (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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT ALDH1A1 1238/4885L3MBTL1 823/4885MAPT 906/4885

“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.