SCHEMBL14066982

SCHEMBL14066982

CBn1ccc(CC)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL12266192 0.74 MGLL (0.39) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL18951893 0.72 PIK3CD (0.40) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL23266882 0.69 PTGS2 (0.44) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL26003113 0.69 MGLL (0.36) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL18087421 0.68 MGLL (0.35) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL19677418 0.67 PTGS2 (0.41) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL18347240 0.66 MAPK14 (0.56) ALDH1A1LMNASMN1; SMN2HPGDBRD4
SCHEMBL18324218 0.66 GRIA2 (0.36) MGLLMAPK1NPC1ALDH1A1LMNA
SCHEMBL22971668 0.65 HTR2C (0.43) —
SCHEMBL10121965 0.63 MGLL (0.42) MGLLALDH1A1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MGLL 3562/4885MAPK1 451/4885NPC1 3092/4885
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY BRAF, RAF1, BAZ2B MGLL 3582/4885MAPK1 248/4885NPC1 2305/4885

“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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