SCHEMBL4228969

SCHEMBL4228969

CC1=C2CCC[C@H](O)[C@@]2(C)CC(=Cc2ccc(Nc3ccc(I)cc3)cc2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL4228967 1.00 CYP1A2 (0.32) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4227068 0.94 CYP1A2 (0.35) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4227066 0.94 CYP1A2 (0.35) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4227874 0.84 CYP2C9 (0.45) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4227868 0.84 CYP2C9 (0.45) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4232677 0.84 NPSR1 (0.33) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4232675 0.84 NPSR1 (0.33) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4222550 0.83 HSD11B1 (0.44) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4237370 0.83 EGFR (0.38) CYP1A2NPC1MAPTRAB9AKMT2A
SCHEMBL4222553 0.83 HSD11B1 (0.44) CYP1A2NPC1MAPTRAB9AKMT2A

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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 — — US claimed

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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A CYP1A2 2000/4885NPC1 584/4885MAPT 17/4885

“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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