SCHEMBL2999622

SCHEMBL2999622

CCCCCCCCc1nc(CCC(=O)O)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
PPARA Q07869 7/20 0.45
CDC25A P30304 6/20 0.44
CDC25B P30305 6/20 0.44
CDC25C P30307 5/20 0.44
TBXAS1 P24557 2/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
GPR84 Q9NQS5 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL3004496 1.00 SCD (0.45) SCDPPARACDC25ACDC25BCDC25C
SCHEMBL3005232 1.00 SCD (0.45) SCDPPARACDC25ACDC25BCDC25C
SCHEMBL3008208 0.98 PPARA (0.43) SCDPPARACDC25ACDC25BCDC25C
SCHEMBL3006924 0.94 TBXAS1 (0.40) PPARATBXAS1PPARGPPARDGPR84
Octanoic Acid SCHEMBL27884129 0.90 PPARA (0.50) SCDPPARATBXAS1PPARGPPARD
SCHEMBL3005051 0.88 ALDH1A1 (0.45) SCDPPARATBXAS1GPR84ALDH1A1
SCHEMBL3005337 0.88 ALDH1A1 (0.45) SCDPPARATBXAS1GPR84ALDH1A1
SCHEMBL16058909 0.88 ALDH1A1 (0.45) SCDPPARATBXAS1GPR84ALDH1A1
SCHEMBL27788644 0.88 ALDH1A1 (0.45) SCDPPARATBXAS1GPR84ALDH1A1
SCHEMBL2999896 0.88 ALDH1A1 (0.45) SCDPPARATBXAS1GPR84ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 SCD 3336/4885PPARA 3960/4885CDC25A 3626/4885

“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.