SCHEMBL831210

SCHEMBL831210

CCOC(=O)C1=C(C)NC(=O)CC1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.49
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 4/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42

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
SCHEMBL833090 0.83 ADORA2B (0.44) ADORA2BKDM4ELMNAALDH1A1HTT
SCHEMBL3710229 0.81 ADORA2B (0.39) ADORA2BKDM4ELMNAALDH1A1HTT
SCHEMBL15989535 0.75 ALDH1A1 (0.65) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL830786 0.73 FFAR3 (0.40) HTTNPSR1GAAPOLBTP53
SCHEMBL15966611 0.72 SMN1; SMN2 (0.69) ADORA2BKDM4ELMNAALDH1A1HTT
SCHEMBL17367956 0.71 ALDH1A1 (0.58) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL3708335 0.70 ADORA2B (0.34) ADORA2BALDH1A1MAPT
SCHEMBL28487208 0.69 GPBAR1 (0.70) ADORA2BKDM4EALDH1A1HTTGAA
SCHEMBL886958 0.69 GLA (0.47) LMNAALDH1A1NPC1TP53CYP1A2
SCHEMBL30593827 0.68 GPBAR1 (0.75) ADORA2BLMNAALDH1A1HTTNPSR1

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 ADORA2B 1971/4885KDM4E 3571/4885LMNA 522/4885

“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.