SCHEMBL20279382

SCHEMBL20279382

C[C@H](CCC(O)C(C)(C)O)C1C(O)C[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.47
▸ HSD11B2 P80365 1/20 0.46
▸ ACHE P22303 2/20 0.44
▸ NR1H4 Q96RI1 5/20 0.44
▸ CES2 O00748 3/20 0.44
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ TOP2A P11388 6/20 0.39
▸ TOP2B Q02880 6/20 0.39
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL20284781 1.00 HSD11B1 (0.47) HSD11B1HSD11B2ACHENR1H4CES2
SCHEMBL18495442 0.91 HSD11B1 (0.42) HSD11B1HSD11B2ACHENR1H4CES2
SCHEMBL29843558 0.86 HSD11B1 (0.43) HSD11B1HSD11B2ACHENR1H4CES2
SCHEMBL5824299 0.84 HSD11B1 (0.61) HSD11B1HSD11B2ACHENR1H4CES2
SCHEMBL4232495 0.83 HSD11B1 (0.62) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL4232501 0.83 HSD11B1 (0.62) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL4232633 0.76 HSD11B1 (0.52) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL29925026 0.76 HSD11B1 (0.52) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL4232635 0.76 HSD11B1 (0.52) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL5822876 0.72 HSD11B1 (0.59) HSD11B1HSD11B2ACHEFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570312-B2 Method for the separation of the isoprenic constituents of guayule VERSALIS S.P.A (IT) 2020-02-25 — — US disclosed
US-20180171178-A1 METHOD FOR THE SEPARATION OF THE ISOPRENIC CONSTITUENTS OF GUAYULE VERSALIS S.P.A. (IT) 2018-06-21 — — US disclosed
US-20180171178-A1 METHOD FOR THE SEPARATION OF THE ISOPRENIC CONSTITUENTS OF GUAYULE VERSALIS S.P.A. (IT) 2018-06-21 — — 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 (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-20180171178-A1 METHOD FOR THE SEPARATION OF THE ISOPRENIC CONSTITUENTS OF GUAYULE ARGLU1, GUCY1B1, ARG1 HSD11B1 1614/4885HSD11B2 1919/4885ACHE 1677/4885
US-10570312-B2 Method for the separation of the isoprenic constituents of guayule ARGLU1, GUCY1B1, ARG1 HSD11B1 1614/4885HSD11B2 1919/4885ACHE 1677/4885

“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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