SCHEMBL4891883

SCHEMBL4891883

C1=C/C2=C/NCc3ccccc3OC2C=C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.33
NISCH Q9Y2I1 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP1 P09874 1/20 0.30

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
SCHEMBL5342826 0.68 P2RY6 (0.33)
SCHEMBL11779705 0.64
SCHEMBL11993892 0.63 OXTR (0.37) OXTRNISCHGAANPSR1
SCHEMBL20872264 0.62 MAOA (0.37) NISCH
SCHEMBL11810865 0.60 ABCG2 (0.34)
SCHEMBL10771985 0.59 CA12 (0.37) GAA
SCHEMBL574744 0.58 OXTR (0.47) OXTRGAANPSR1PARP1
SCHEMBL3755519 0.58
SCHEMBL19312038 0.58 OXTR (0.42) OXTRNISCHGAANPSR1
SCHEMBL14304447 0.57 CYP1A2 (0.33) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins DUMONCEAUX JULIE 2008-12-18 US disclosed
US-7361503-B2 Sequences encoding hepatitis C virus glycoproteins ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-04-22 US disclosed
US-20060292151-A1 L-SIGN polymorphisms and methods involving use of same PROGENICS PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-20050266400-A1 Novel sequences encoding hepatitis C virus glycoproteins PROGENICS PHARMACEUTICALS, INC. 2005-12-01 US 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 (3 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-20050266400-A1 Novel sequences encoding hepatitis C virus glycoproteins HAVCR2, EEA1, SELPLG OXTR 3456/4885NISCH 4746/4885GAA 777/4885
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins HAVCR2, EEA1, SELPLG OXTR 3456/4885NISCH 4746/4885GAA 777/4885
US-20060292151-A1 L-SIGN polymorphisms and methods involving use of same HAVCR2, SELL, SELPLG OXTR 2896/4885NISCH 2313/4885GAA 2078/4885

“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.