SCHEMBL2728667

SCHEMBL2728667

COC(=O)C[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CCC12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.77
▸ TDP1 Q9NUW8 6/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TSHR P16473 2/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ PDK1 Q15118 1/20 0.69
▸ PDK2 Q15119 1/20 0.69
▸ PDK3 Q15120 1/20 0.69
▸ PDK4 Q16654 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ MAPK1 P28482 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.65
▸ RXRA P19793 1/20 0.64
▸ CCNE1 P24864 1/20 0.64

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
SCHEMBL2728664 1.00 KARS1 (0.77) KARS1TDP1CYP3A4MEN1KMT2A
SCHEMBL20856804 0.89 KARS1 (0.76) KARS1TDP1CYP3A4MEN1KMT2A
SCHEMBL19283122 0.84 KARS1 (0.68) KARS1TDP1CYP3A4MEN1KMT2A
SCHEMBL14648809 0.84 CYP3A4 (0.76) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL2728630 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL13039025 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL30087017 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL2546195 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL1210740 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A
Pomiferin A SCHEMBL4549111 0.84 KARS1 (1.00) KARS1TDP1CYP3A4MEN1KMT2A

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 KARS1 4322/4885TDP1 1791/4885CYP3A4 1340/4885

“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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