SCHEMBL4234789

SCHEMBL4234789

CC1=C2CCCC(C3OCCO3)C2(C)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ SHBG P04278 1/20 0.45
▸ TSHR P16473 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP19A1 P11511 14/20 0.35
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL4227246 0.74 SHBG (0.53) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL11960923 0.74 SHBG (0.53) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL12140987 0.74 SHBG (0.53) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL4220412 0.74 SHBG (0.53) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL9974502 0.72 CYP3A4 (0.47) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL20277993 0.71 CYP3A4 (0.39) CYP3A4SHBG
SCHEMBL16300025 0.68 CYP3A4 (0.56) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL15195626 0.67 SHBG (0.59) CYP3A4SHBGTSHRTHPOHIF1A
SCHEMBL11950764 0.67 CYP3A4 (0.42) CYP3A4SHBGCYP19A1
SCHEMBL6573096 0.67 CYP3A4 (1.00) CYP3A4SHBGTSHRTHPOHIF1A

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 3 patents. 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
EP-1841723-A1 DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2007-10-10 — — EP disclosed
WO-2006069787-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2006-07-06 — — WO 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 CYP3A4 2291/4885SHBG 2547/4885TSHR 2761/4885

“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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