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SCHEMBL830487

SCHEMBL830487

CCc1nc(-c2ccc(C)c(F)c2)cc(CC(C)C)c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.39
▸ KMO O15229 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ BDKRB1 P46663 5/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ CTSA P10619 1/20 0.34

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
SCHEMBL830490 0.88 KMO (0.46) KMOPTGESESR1ESR2TP53
SCHEMBL831717 0.86 CNR2 (0.41) KMOPTGESGCGRTRPV3POLB
SCHEMBL830293 0.86 ADORA3 (0.41) POLBMAPT
SCHEMBL832148 0.86 TRPV3 (0.36) BDKRB1GCGRTRPV3POLBDHODH
SCHEMBL831416 0.83 MAPT (0.43) SLC6A3POLBMAPT
SCHEMBL830856 0.81 ALDH1A1 (0.50) KMOTP53POLBMAPTDHODH
SCHEMBL832076 0.80 ALDH1A1 (0.45) SLC6A3KMOPTGESHDAC1HDAC6
SCHEMBL831687 0.78 KMO (0.48) KMOPTGESESR1ESR2HDAC1
SCHEMBL829769 0.78 ALDH1A1 (0.47) KMOPTGESTP53POLBMAPT
SCHEMBL830320 0.75 ALDH1A1 (0.44) SLC6A3KMOPTGESBDKRB1HDAC1

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 SLC6A3 264/4885KMO 2954/4885PTGES 2516/4885

“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.