SCHEMBL3010143

SCHEMBL3010143

CCCCOC(=O)Cc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
XDH P47989 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE4A P27815 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2999670 0.95 NAAA (0.45) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL3005332 0.94 NAAA (0.47) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL3005045 0.94 NAAA (0.47) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL2999894 0.94 NAAA (0.47) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL3007160 0.91 ALDH1A1 (0.37) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL14742087 0.84 TSHR (0.49) TSHRLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1441637 0.84 KMT2A (0.44) TSHRMAPK1LMNAALDH1A1HSD17B10
SCHEMBL7739707 0.77 LMNA (0.41) TSHRMAPK1LMNAALDH1A1L3MBTL1
SCHEMBL45123 0.77 KDM4E (0.46) MAPK1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL10348009 0.76 PAM (0.46) MAPK1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP claimed
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
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 CN 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
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP 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 TSHR 1739/4885MAPK1 1068/4885LMNA 4155/4885

“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.