SCHEMBL830819

SCHEMBL830819

CC(C)CCOc1nc(-c2cc(F)cc(F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.37
XDH P47989 7/20 0.36
AAK1 Q2M2I8 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL832288 0.87 KMO (0.43) ALDH1A1L3MBTL1MAPK1XDHAAK1
SCHEMBL831844 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1XDHAAK1
SCHEMBL833331 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1AAK1KDM4EMEN1
SCHEMBL830844 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL831698 0.84 KMO (0.43) ALDH1A1L3MBTL1XDHAAK1
SCHEMBL831092 0.83 KMO (0.42) ALDH1A1L3MBTL1XDH
SCHEMBL830072 0.76 XDH (0.45) ALDH1A1L3MBTL1XDHAAK1
SCHEMBL3752012 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL831302 0.75 XDH (0.48) ALDH1A1L3MBTL1XDHAAK1KDM4E
SCHEMBL829557 0.74 XDH (0.45) ALDH1A1L3MBTL1XDHAAK1MEN1

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 823/4885MAPK1 1221/4885

“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.