SCHEMBL13410550

SCHEMBL13410550

CCC1CCC2[C@@H](OC(C)=O)CCC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CHRM2 P08172 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM1 P11229 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.32
MTOR P42345 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 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
SCHEMBL14619118 0.85 CYP3A4 (0.35) CYP3A4CDC25ACDC25BMEN1KMT2A
SCHEMBL13410438 0.85 CYP3A4 (0.35) CYP3A4CDC25ACDC25BMEN1KMT2A
SCHEMBL31267268 0.79 MEN1 (0.47) CYP3A4GRIN1GRIN2BMEN1KMT2A
SCHEMBL10125299 0.79 MEN1 (0.47) CYP3A4GRIN1GRIN2BMEN1KMT2A
SCHEMBL9009430 0.79 MEN1 (0.47) CYP3A4GRIN1GRIN2BMEN1KMT2A
SCHEMBL9009451 0.79 MEN1 (0.47) CYP3A4GRIN1GRIN2BMEN1KMT2A
SCHEMBL13853984 0.78 CDC25A (0.50) GRIN1GRIN2BCDC25ACDC25BMEN1
SCHEMBL13392642 0.75 MEN1 (0.37) CYP3A4CDC25ACDC25BCHRM2MEN1
SCHEMBL13392666 0.75 MEN1 (0.37) CYP3A4CDC25ACDC25BCHRM2MEN1
SCHEMBL13392661 0.75 CDC25A (0.50) CDC25ACDC25BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 US disclosed
US-20100009949-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-01-14 US disclosed
US-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol BIOXELL S.P.A. (IT) 2009-05-28 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 (4 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-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY CYP27B1, CYP2R1, SHBG CYP3A4 1018/4885GRIN1 4237/4885GRIN2B 4514/4885
US-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol CYP24A1, CYP2R1, CYP27B1 CYP3A4 172/4885GRIN1 4430/4885GRIN2B 4684/4885
US-20100009949-A1 NOVEL METHOD CYP24A1, CYP2R1, CYP27B1 CYP3A4 1785/4885GRIN1 4077/4885GRIN2B 4392/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 CYP3A4 4138/4885GRIN1 3728/4885GRIN2B 4274/4885

“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.