SCHEMBL13655602

SCHEMBL13655602

Cc1cc(C)c(C)c(C(=O)NCC(C)(C)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13655604 0.79 HDAC3 (0.37) HTTNPSR1MEN1LMNAMAPT
SCHEMBL14117366 0.77 SMN1; SMN2 (0.49) HTTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL1003874 0.76 POLB (0.47) HTTNPSR1LMNAMAPTKMT2A
SCHEMBL1005549 0.72 ALDH1A1 (0.47) LMNASMN1; SMN2KDM4E
SCHEMBL25779498 0.71 MEN1 (0.43) NPSR1MEN1LMNAMAPTKMT2A
SCHEMBL13655599 0.70 NPC1 (0.55) HTTNPSR1LMNAMAPTKMT2A
SCHEMBL25644373 0.69 P2RX7 (0.42) LMNA
SCHEMBL24574912 0.68 TAS1R3 (0.44) HTTNPSR1MEN1LMNAMAPT
SCHEMBL13655562 0.68 HDAC3 (0.46) KDM4E
SCHEMBL9272367 0.66 LMNA (0.41) MEN1LMNAKMT2AL3MBTL1KDM4E

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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 — — 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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 HTT 3805/4885NPSR1 351/4885MEN1 2389/4885

“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.

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