SCHEMBL15934993

SCHEMBL15934993

CC(CCC(O)C(C)(C)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRYAB P02511 4/20 0.78
FNTA P49354 3/20 0.76
FNTB P49356 3/20 0.76
MEN1 O00255 1/20 0.65
PLA2G1B P04054 1/20 0.65
MAPT P10636 1/20 0.65
DNMT1 P26358 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
ATG4B Q9Y4P1 1/20 0.65
ACHE P22303 2/20 0.62
PIN1 Q13526 4/20 0.59
PTGES O14684 1/20 0.59
PREP P48147 1/20 0.59
CRYAA P02489 1/20 0.56
NR1H4 Q96RI1 2/20 0.55
CES2 O00748 1/20 0.55

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
SCHEMBL17428555 0.87 CRYAB (0.76) CRYABFNTAFNTBMEN1PLA2G1B
Clavarinone SCHEMBL606234 0.86 FNTA (1.00) CRYABFNTAFNTBMEN1PLA2G1B
Clavarinone SCHEMBL606233 0.86 FNTA (1.00) CRYABFNTAFNTBMEN1PLA2G1B
Lucidumol A SCHEMBL28150374 0.86 ACHE (0.59) CRYABFNTAFNTBMEN1PLA2G1B
Lucidumol A SCHEMBL28150372 0.86 ACHE (0.59) CRYABFNTAFNTBMEN1PLA2G1B
SCHEMBL17431812 0.86 CRYAB (0.71) CRYABFNTAFNTBMEN1PLA2G1B
SCHEMBL17431762 0.85 CRYAB (0.77) CRYABFNTAFNTBMAPTACHE
SCHEMBL29692186 0.85 CRYAB (0.77) CRYABFNTAFNTBMAPTACHE
SCHEMBL17428538 0.85 FNTA (0.67) CRYABFNTAFNTBMAPTACHE
SCHEMBL17874600 0.83 FNTA (0.79) CRYABFNTAFNTBMEN1PLA2G1B

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 5 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-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
US-20160009756-A1 Commands and method of treating cancer via RHO pathway Xie, Weidong (CA) 2016-01-14 US disclosed
WO-2014117710-A1 COMMANDS AND METHOD OF TREATING CANCER VIA RHO PATHWAY LIU XIN (CN) 2014-08-07 WO 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 CRYAB 2144/4885FNTA 120/4885FNTB 444/4885

“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.