SCHEMBL11960923

SCHEMBL11960923

CC1=C2CCC[C@@H](O)C2(C)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.53
▸ CYP3A4 P08684 2/20 0.49
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 11/20 0.33
▸ SRD5A2 P31213 2/20 0.32
▸ SRD5A1 P18405 1/20 0.32
▸ EPAS1 Q99814 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
SCHEMBL4220412 1.00 SHBG (0.53) SHBGCYP3A4PIK3R1PIK3CAHIF1A
SCHEMBL12140987 1.00 SHBG (0.53) SHBGCYP3A4PIK3R1PIK3CAHIF1A
SCHEMBL4227246 1.00 SHBG (0.53) SHBGCYP3A4PIK3R1PIK3CAHIF1A
SCHEMBL15195626 0.90 SHBG (0.59) SHBGCYP3A4PIK3R1PIK3CAHIF1A
SCHEMBL4228890 0.80 SHBG (0.35) SHBGCYP3A4
SCHEMBL11951200 0.80 PIK3R1 (0.36) SHBGCYP3A4PIK3R1PIK3CAHIF1A
SCHEMBL20277845 0.79 SHBG (0.40) SHBGCYP3A4
SCHEMBL4234810 0.78 SHBG (0.34) SHBG
SCHEMBL4233002 0.78 SHBG (0.34) SHBG
SCHEMBL4234806 0.78 SHBG (0.34) SHBG

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
EP-1465615-B1 TRICYCLIC-BIS-ENONE DERIVATIVES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2012-08-01 — — EP disclosed
US-8067465-B2 Tricyclic-bis-enone derivatives and methods of use thereof THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-11-29 — — US disclosed
US-20100261930-A1 Tricyclic-Bis-Enone Derivatives and Methods of Use Thereof NIH - DEITR 2010-10-14 — — 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-20100261930-A1 Tricyclic-Bis-Enone Derivatives and Methods of Use Thereof PTGES, PTGES2, TBXAS1 SHBG 4263/4885CYP3A4 789/4885PIK3R1 3325/4885

“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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