SCHEMBL6786368

SCHEMBL6786368

COc1c(OC(C)=O)ccc(CC(=O)O)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.38
PTPN1 P18031 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
CFD P00746 2/20 0.37
PTGS1 P23219 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 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
SCHEMBL10442007 0.77 MAPK1 (0.45) HSD17B10TSHRMAPK1GAAPTPN1
SCHEMBL10546978 0.77 PTPN1 (0.47) HSD17B10TSHRMAPK1GAAPTPN1
SCHEMBL10680843 0.74 KDM4E (0.40) HSD17B10MAPK1GAAKDM4EALDH1A1
SCHEMBL151820 0.73 HSD17B10 (0.57) HSD17B10TSHRGAANPSR1KDM4E
SCHEMBL318039 0.73 TSHR (0.49) TSHRMAPK1GAAPTPN1KDM4E
SCHEMBL30969123 0.73 HSD17B10 (0.57) HSD17B10TSHRGAANPSR1KDM4E
SCHEMBL31042841 0.72 HSD17B10 (0.53) HSD17B10TSHRGAANPSR1KDM4E
SCHEMBL9876858 0.72 MAPK1 (0.58) HSD17B10TSHRMAPK1GAAPTPN1
SCHEMBL6068431 0.72 TNFSF11 (0.50) HSD17B10TSHRGAANPSR1KDM4E
SCHEMBL151821 0.71 TSHR (0.55) TSHRMAPK1GAAPTPN1KDM4E

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-20040230064-A1 Novel labeled resiniferatoxin derivatives ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-18 US disclosed
EP-1341795-A2 NOVEL LABELED RESINIFERATOXIN DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-09-10 EP disclosed
WO-2002030937-A2 LABELED RESINIFERATOXIN DERIVATIVES FOR USE IN VANILLOID RECEPTOR BINDING ASSAY ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-18 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-20040230064-A1 Novel labeled resiniferatoxin derivatives TRPV1, GPR17, ANTXR2 HSD17B10 1438/4885TSHR 1783/4885MAPK1 4563/4885

“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.