SCHEMBL2727842

SCHEMBL2727842

CC(C)C1=CC2=CCC3[C@@](C)(C=O)CCC[C@]3(C)[C@H]2CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.67
▸ ALOX15 P16050 3/20 0.67
▸ PDK1 Q15118 2/20 0.67
▸ PDK2 Q15119 2/20 0.67
▸ PDK3 Q15120 2/20 0.67
▸ PDK4 Q16654 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ SLCO1B3 Q9NPD5 1/20 0.67
▸ SLCO1B1 Q9Y6L6 1/20 0.67
▸ GABRA1 P14867 1/20 0.67
▸ GABRB2 P47870 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ MAPK1 P28482 1/20 0.65
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52

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
SCHEMBL13366521 1.00 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL2727840 1.00 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL12417310 0.84 HSD17B10 (0.64) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL11065471 0.84 ALOX15 (0.72) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL814266 0.84 ALOX15 (0.72) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL18431213 0.84 ALOX15 (0.72) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL131103 0.81 ALOX15 (0.69) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL131104 0.81 ALOX15 (0.69) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL7668774 0.81 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL19027908 0.81 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3

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 HSD17B10 95/4885ALOX15 7/4885PDK1 2479/4885

“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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