SCHEMBL830786

SCHEMBL830786

CCC1=C(C(=O)OC)C(CC(C)C)CC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.40
HTT P42858 1/20 0.36
PKM P14618 1/20 0.34
TSHR P16473 3/20 0.33
POLB P06746 1/20 0.33
MME P08473 1/20 0.33
GAA P10253 4/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CACNA1F O60840 3/20 0.32
CACNA1D Q01668 3/20 0.32
CACNA1S Q13698 3/20 0.32
CACNA1C Q13936 3/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3703931 0.82 FFAR3 (0.32) FFAR3POLBMMEGLA
SCHEMBL831210 0.73 ADORA2B (0.49) HTTTSHRPOLBGAAHSD17B10
SCHEMBL833090 0.69 ADORA2B (0.44) HTTTSHRPOLBGAAHSD17B10
SCHEMBL886958 0.68 GLA (0.47) MMETP53CYP1A2CYP3A4CYP2C19
SCHEMBL3708335 0.62 ADORA2B (0.34)
SCHEMBL2019434 0.60 CRBN (0.52) HTTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL7697219 0.59 GAA (0.35) HTTGAACYP2C9CYP2C19
SCHEMBL4246617 0.59 FFAR3 (0.38) FFAR3GAA
SCHEMBL2691336 0.59
SCHEMBL8694334 0.59 FFAR3 (0.44) FFAR3HTTGAACACNA1FCACNA1D

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 FFAR3 1152/4885HTT 391/4885PKM 1294/4885

“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.