SCHEMBL17428529

SCHEMBL17428529

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.44
▸ HSD11B2 P80365 1/20 0.44
▸ ACHE P22303 2/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ TOP2A P11388 6/20 0.41
▸ TOP2B Q02880 6/20 0.41
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ ATP1A1 P05023 2/20 0.35
▸ ATP1B1 P05026 2/20 0.35
▸ ATP1A3 P13637 2/20 0.35
▸ ATP1B2 P14415 2/20 0.35
▸ ATP1A2 P50993 2/20 0.35
▸ ATP1B3 P54709 2/20 0.35
▸ FXYD2 P54710 2/20 0.35
▸ ATP1A4 Q13733 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ CES2 O00748 1/20 0.35

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
SCHEMBL17431782 0.89 HSD11B1 (0.55) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL13642557 0.82 GPBAR1 (0.48) TOP2ATOP2BNR1H4
SCHEMBL13642752 0.82 GPBAR1 (0.48) TOP2ATOP2BNR1H4
SCHEMBL13642588 0.80 HSD11B1 (0.62) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL13642319 0.80 HSD11B1 (0.62) HSD11B1HSD11B2ACHEPRKAG1PRKAA2
SCHEMBL13642791 0.79 GPBAR1 (0.43) TOP2ATOP2BATP1A1ATP1B1ATP1A3
SCHEMBL13642612 0.79 GPBAR1 (0.43) TOP2ATOP2BATP1A1ATP1B1ATP1A3
SCHEMBL13642514 0.79 GPBAR1 (0.43) TOP2ATOP2BATP1A1ATP1B1ATP1A3
SCHEMBL13642524 0.78 PTPN1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL13642560 0.78 PTPN1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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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