SCHEMBL832288

SCHEMBL832288

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(OCCC(C)C)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.43
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
XDH P47989 5/20 0.39
AAK1 Q2M2I8 2/20 0.38
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL830072 0.90 XDH (0.45) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL831698 0.89 KMO (0.43) KMOALDH1A1L3MBTL1XDHAAK1
SCHEMBL829626 0.87 ALDH1A1 (0.50) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL830819 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1XDHAAK1MAPK1
SCHEMBL831844 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1XDHAAK1MAPK1
SCHEMBL831092 0.85 KMO (0.42) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831013 0.85 KMO (0.45) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL830823 0.83 KMO (0.43) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL831459 0.82 KMO (0.43) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL831823 0.81 KMO (0.42) KMOALDH1A1L3MBTL1AKR1B10AKR1C4

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 KMO 2954/4885ALDH1A1 1238/4885L3MBTL1 823/4885

“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.