SCHEMBL2999894

SCHEMBL2999894

CCCCCCCCOC(=O)Cc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.47
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PLA2G2A P14555 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
DGKA P23743 1/20 0.40

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
SCHEMBL3005332 1.00 NAAA (0.47) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL3005045 1.00 NAAA (0.47) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL2999670 0.99 NAAA (0.45) NAAARAD52NPSR1EPHX1TSHR
SCHEMBL3010143 0.94 TSHR (0.45) NAAATSHRALDH1A1LMNAMAPK1
SCHEMBL3007160 0.88 ALDH1A1 (0.37) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL14742087 0.82 TSHR (0.49) TSHRALDH1A1LMNAKDM4E
SCHEMBL1441637 0.82 KMT2A (0.44) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL889253 0.80 THRA (0.44) NAAAALDH1A1FAAHLMNADGKA
SCHEMBL12792475 0.80 THRA (0.44) NAAAALDH1A1FAAHLMNADGKA
SCHEMBL889325 0.80 DGKA (0.42) NAAAEPHX1ALDH1A1FAAHLMNA

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 NAAA 1850/4885RAD52 3126/4885NPSR1 187/4885

“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.