SCHEMBL831013

SCHEMBL831013

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MCL1 Q07820 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR5 Q9H228 3/20 0.35
AAK1 Q2M2I8 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
SCHEMBL8073401 0.91 L3MBTL1 (0.43) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL832431 0.89 ALDH1A1 (0.43) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL839946 0.89 MDM2 (0.40) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831395 0.88 MDM2 (0.40) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL830072 0.86 XDH (0.45) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831624 0.85 EPRS1 (0.48) ALDH1A1L3MBTL1MCL1RXRARXRB
SCHEMBL829626 0.85 ALDH1A1 (0.50) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL832288 0.85 KMO (0.43) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831291 0.83 POLB (0.43) ALDH1A1L3MBTL1MCL1RXRARXRB
SCHEMBL831459 0.83 KMO (0.43) KMOALDH1A1L3MBTL1AKR1C3AKR1C2

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 6 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

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.