SCHEMBL2995184

SCHEMBL2995184

CCCCCCCCOC(=O)c1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ESR1 P03372 3/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
MMP2 P08253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP1 P03956 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
SCHEMBL3010778 1.00 LMNA (0.50) LMNAALDH1A1TSHRMAPK1TP53
SCHEMBL3006729 1.00 LMNA (0.50) LMNAALDH1A1TSHRMAPK1TP53
SCHEMBL13092513 1.00 LMNA (0.50) LMNAALDH1A1TSHRMAPK1TP53
SCHEMBL3004724 0.98 LMNA (0.49) LMNAALDH1A1TSHRMAPK1TP53
SCHEMBL3008544 0.94 LMNA (0.54) LMNAALDH1A1TSHRMAPK1TP53
SCHEMBL3015836 0.87 ALDH1A1 (0.44) LMNAALDH1A1TSHRCYP3A4ESR1
SCHEMBL28575733 0.81 LMNA (0.37) LMNAALDH1A1TSHRCYP3A4MAPT
SCHEMBL14742161 0.81 GAA (0.51) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL179565 0.80 CYP1A2 (0.50) LMNAALDH1A1TSHRMAPK1NPC1
SCHEMBL19166250 0.79 LMNA (0.55) LMNATSHRTP53CYP3A4NPC1

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 LMNA 4155/4885ALDH1A1 2060/4885TSHR 1739/4885

“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.