SCHEMBL5824299

SCHEMBL5824299

C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.61
▸ HSD11B2 P80365 1/20 0.54
▸ ACHE P22303 2/20 0.54
▸ TOP2A P11388 6/20 0.47
▸ TOP2B Q02880 6/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ CES2 O00748 1/20 0.46
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ ACLY P53396 2/20 0.44
▸ ACACA Q13085 2/20 0.44
▸ CRYAB P02511 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL5822876 0.88 HSD11B1 (0.59) HSD11B1HSD11B2ACHETOP2ATOP2B
SCHEMBL30741399 0.85 HSD11B1 (0.62) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL20279382 0.84 HSD11B1 (0.47) HSD11B1HSD11B2ACHETOP2ATOP2B
SCHEMBL20284781 0.84 HSD11B1 (0.47) HSD11B1HSD11B2ACHETOP2ATOP2B
SCHEMBL31237297 0.83 HSD11B1 (0.82) HSD11B1ACHETOP2AFNTAFNTB
SCHEMBL5823474 0.82 HSD11B1 (0.57) HSD11B1HSD11B2ACHEFNTAFNTB
SCHEMBL5824245 0.82 HSD11B1 (0.69) HSD11B1HSD11B2ACHETOP2AFNTA
Cycloartenone SCHEMBL29504219 0.82 HSD11B1 (0.61) HSD11B1ACHETOP2AFNTAFNTB
3Beta,24,25-Trihydroxycycloartane SCHEMBL3306653 0.81 HSD11B1 (0.76) HSD11B1HSD11B2ACHETOP2ATOP2B
SCHEMBL13642319 0.81 HSD11B1 (0.62) HSD11B1HSD11B2ACHETOP2ATOP2B

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-20150004260-A1 METHODS FOR INHIBITING PROSTATE CANCER BY KINASES AND ANGIOGENESIS INHIBITORY MECHANISMS OF BALL MOSS EXTRACT UNIVERSITY OF MARYLAND, BALTIMORE 2015-01-01 — — US disclosed
JP-2006131595-A CARCINOGENESIS PREVENTING AGENT AND METHOD FOR PREPARING CYCLOARTANE-TYPE TRITERPENE COMPOUND UNIV NIHON 2006-05-25 — — JP 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-20150004260-A1 METHODS FOR INHIBITING PROSTATE CANCER BY KINASES AND ANGIOGENESIS INHIBITORY MECHANISMS OF BALL MOSS EXTRACT MAP3K11, MAP3K7, MAP3K1 HSD11B1 548/4885HSD11B2 644/4885ACHE 2259/4885

“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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