SCHEMBL9111475

SCHEMBL9111475

CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(N)=O)C2CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 1.00
▸ PDK2 Q15119 2/20 1.00
▸ PDK3 Q15120 2/20 1.00
▸ PDK4 Q16654 2/20 1.00
▸ HSD17B10 Q99714 3/20 0.83
▸ ALOX15 P16050 3/20 0.83
▸ LMNA P02545 3/20 0.83
▸ ALDH1A1 P00352 2/20 0.83
▸ CYP3A4 P08684 2/20 0.83
▸ CYP2C9 P11712 2/20 0.83
▸ CYP2C19 P33261 2/20 0.83
▸ SLCO1B3 Q9NPD5 1/20 0.83
▸ SLCO1B1 Q9Y6L6 1/20 0.83
▸ GABRA1 P14867 1/20 0.83
▸ GABRB2 P47870 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ KDM4E B2RXH2 1/20 0.83
▸ MAPK1 P28482 1/20 0.67
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL5134412 1.00 PDK1 (1.00) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL5134413 1.00 PDK1 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL5711211 0.91 PDK1 (0.83) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL678976 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL9892651 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL10038576 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL19798150 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL14700492 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL28888 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL16268652 0.91 HSD17B10 (1.00) PDK1PDK2PDK3PDK4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US claimed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A PDK1 1514/4885PDK2 1107/4885PDK3 1546/4885
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A PDK1 1514/4885PDK2 1107/4885PDK3 1546/4885

“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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