SCHEMBL13910063

SCHEMBL13910063

CC1=C2CCC[C@H](O)[C@@]2(CN[C@@H](C=O)Cc2ccccc2)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.38
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ ACE P12821 1/20 0.32
▸ CTSB P07858 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL16988659 0.79 ESR1 (0.42) SLC6A4SLC6A3ESR1ESR2
SCHEMBL4232429 0.79 ESR1 (0.42) SLC6A4SLC6A3ESR1ESR2
SCHEMBL13918280 0.77 SLC15A1 (0.38) ACE
SCHEMBL13910069 0.70 ALDH1A1 (0.34) CAPN1ACECTSB
SCHEMBL16988319 0.66 ESR1 (0.37) ESR1ESR2
SCHEMBL16988571 0.66 ESR1 (0.37) ESR1ESR2
SCHEMBL4237639 0.64 ESR1 (0.33) ESR1ESR2LMNA
SCHEMBL4237636 0.64 ESR1 (0.33) ESR1ESR2LMNA
SCHEMBL4227584 0.63 CYP1A2 (0.37) LMNA
SCHEMBL4227589 0.63 CYP1A2 (0.37) LMNA

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 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A CAPN1 3069/4885SLC6A4 678/4885SLC6A3 253/4885

“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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