SCHEMBL831092

SCHEMBL831092

CC(C)CCOc1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
TTR P02766 1/20 0.41
EIF4E P06730 4/20 0.40
XDH P47989 4/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL831698 0.92 KMO (0.43) KMOXDHALDH1A1L3MBTL1
SCHEMBL831794 0.87 KMO (0.43) KMOAKR1C3AKR1C2TTREIF4E
SCHEMBL831844 0.87 ALDH1A1 (0.42) XDHALDH1A1L3MBTL1
SCHEMBL830078 0.86 ALDH1A1 (0.46) KMOAKR1C3AKR1C2TTREIF4E
SCHEMBL832288 0.85 KMO (0.43) KMOAKR1C3AKR1C2XDHALDH1A1
SCHEMBL830819 0.83 ALDH1A1 (0.40) XDHALDH1A1L3MBTL1
SCHEMBL829557 0.79 XDH (0.45) KMOXDHALDH1A1L3MBTL1
SCHEMBL831894 0.79 KMO (0.43) KMOALDH1A1L3MBTL1
SCHEMBL830022 0.77 POLB (0.42) ALDH1A1L3MBTL1
SCHEMBL832846 0.76 MAPT (0.43) KMOALDH1A1L3MBTL1

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 2954/4885AKR1C3 1658/4885AKR1C2 1390/4885

“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.