SCHEMBL2999896

SCHEMBL2999896

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GPR84 Q9NQS5 5/20 0.42
HCAR2 Q8TDS4 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
SCD O00767 1/20 0.38
TBXAS1 P24557 1/20 0.38
KCNH2 Q12809 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
SCHEMBL16058909 1.00 ALDH1A1 (0.45) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL3005337 1.00 ALDH1A1 (0.45) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL27788644 1.00 ALDH1A1 (0.45) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL3005051 1.00 ALDH1A1 (0.45) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL2999675 0.98 ALDH1A1 (0.46) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL3010146 0.94 ALDH1A1 (0.45) ALDH1A1GPR84HCAR2HPGDHSD17B10
SCHEMBL3005232 0.88 SCD (0.45) ALDH1A1GPR84HSD17B10PPARASCD
SCHEMBL2999622 0.88 SCD (0.45) ALDH1A1GPR84HSD17B10PPARASCD
SCHEMBL3004496 0.88 SCD (0.45) ALDH1A1GPR84HSD17B10PPARASCD
Acetic Acid SCHEMBL28946334 0.88 KCNH2 (0.47) ALDH1A1GPR84HCAR2HPGDPPARA

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 3 patents. 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
EP-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 EP disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 ALDH1A1 2060/4885GPR84 779/4885HCAR2 10/4885

“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.