SCHEMBL17431782

SCHEMBL17431782

CC(CCC(O)C(C)(C)O)C1CC[C@@]2(C)C3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.55
▸ HSD11B2 P80365 1/20 0.55
▸ ACHE P22303 1/20 0.53
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ PTPN1 P18031 3/20 0.42
▸ TOP2A P11388 5/20 0.41
▸ TOP2B Q02880 5/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ HMGCR P04035 1/20 0.41
▸ CRYAA P02489 1/20 0.41
▸ CRYAB P02511 1/20 0.41
▸ SLC10A1 Q14973 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL17428529 0.89 HSD11B1 (0.44) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL15233192 0.86 SLC10A1 (0.42) HSD11B1HSD11B2ACHEPTPN1TOP2A
SCHEMBL16488039 0.86 SLC10A1 (0.42) HSD11B1HSD11B2ACHEPTPN1TOP2A
SCHEMBL28831684 0.84 HMGCR (0.54) HMGCRSLC10A1ACLYACACA
SCHEMBL4104338 0.82 HMGCR (0.44) PTPN1TOP2AHMGCRCRYAACRYAB
SCHEMBL24285051 0.82 ACLY (0.54) ACHEPTPN1TOP2AHMGCRCRYAB
3Beta,24,25-Trihydroxycycloartane SCHEMBL3306653 0.80 HSD11B1 (0.76) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL3303674 0.75 TOP2A (0.63) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL3303672 0.75 TOP2A (0.63) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL1878450 0.73 HSD11B1 (0.56) HSD11B1HSD11B2ACHEPRKAG1PRKAA2

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-9522935-B2 Commands and method of treating cancer via RHO pathway DM INTELLIGENCE MEDICINE LTD (CN) 2016-12-20 — — US disclosed
US-20160009756-A1 Commands and method of treating cancer via RHO pathway Xie, Weidong (CA) 2016-01-14 — — 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 (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-20160009756-A1 Commands and method of treating cancer via RHO pathway RHOA, RHOT2, ROCK1 HSD11B1 243/4885HSD11B2 441/4885ACHE 466/4885

“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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