SCHEMBL2728587

SCHEMBL2728587

COC(=O)C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ ALOX15 P16050 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ AR P10275 2/20 0.67
▸ KARS1 Q15046 3/20 0.55
▸ TDP1 Q9NUW8 5/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC3 O15379 1/20 0.44

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
SCHEMBL2728589 1.00 CYP3A4 (0.70) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL31291111 0.85 AR (0.68) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL15389694 0.85 CYP3A4 (0.56) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL15389695 0.85 CYP3A4 (0.56) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL2727637 0.85 CYP3A4 (0.56) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL2727636 0.85 CYP3A4 (0.56) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL19283113 0.85 CYP3A4 (0.74) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL26222356 0.84 AR (0.78) CYP3A4MAPTALOX15ALDH1A1AR
7-Oxocallitrisic Acid, Methyl Ester SCHEMBL15339316 0.82 CYP3A4 (1.00) CYP3A4MAPTALOX15ALDH1A1AR
SCHEMBL2728667 0.81 KARS1 (0.77) CYP3A4MAPTALOX15KARS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822692-B2 Diterpenoid derivatives endowed of biological properties SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE, S.P.A. (IT) 2014-09-02 — — US disclosed
EP-2632892-B1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA TAU IND FARMACEUTI (IT) 2014-07-30 — — EP disclosed
US-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-11-21 — — US disclosed
EP-2632892-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2013-09-04 — — EP disclosed
WO-2012055894-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-05-03 — — 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-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES PTGIS, CYP11B2, CYP11B1 CYP3A4 1340/4885MAPT 167/4885ALOX15 7/4885

“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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