SCHEMBL6398477

SCHEMBL6398477

CCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 1.00
PTGS1 P23219 4/20 0.85
HRH4 Q9H3N8 1/20 0.83
HDAC3 O15379 3/20 0.82
HDAC1 Q13547 3/20 0.82
HDAC8 Q9BY41 3/20 0.82
HDAC6 Q9UBN7 3/20 0.82
HDAC2 Q92769 1/20 0.82

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
SCHEMBL14346030 1.00 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL22504102 0.99 PTGS2 (0.98) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL13286980 0.96 PTGS2 (0.93) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL6714709 0.95 PTGS2 (0.90) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL13286893 0.94 PTGS2 (0.88) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL24205778 0.93 PTGS2 (0.87) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL11152422 0.93 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL11157847 0.93 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378082 0.92 PTGS2 (0.85) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL19749147 0.92 PTGS2 (0.85) PTGS2PTGS1HRH4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050031537-A1 Are screened for Cyclooxygenase protein independent of therapeutic activity; anticarcinogenic agents; Alzheimer's disease and atherosclerosis CORNELL RESEARCH FOUNDATION, INC. 2005-02-10 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 (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-20050031537-A1 Are screened for Cyclooxygenase protein independent of therapeutic activity; anticarcinogenic agents; Alzheimer's disease and atherosclerosis PTGS1, PTGES2, PTGS2 PTGS2 3/4885PTGS1 1/4885HRH4 4489/4885

“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.