SCHEMBL17428545

SCHEMBL17428545

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.60
FNTB P49356 3/20 0.60
CRYAB P02511 5/20 0.56
CRYAA P02489 1/20 0.56
USP2 O75604 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 1/20 0.50
BACE1 P56817 1/20 0.46
PTGES O14684 1/20 0.46

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
SCHEMBL19198777 0.92 FNTA (0.60) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL17428554 0.87 MAPT (0.56) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL5664605 0.85 USP2 (0.73) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL15934959 0.85 MAPT (0.53) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL17431762 0.84 CRYAB (0.77) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL17428538 0.84 FNTA (0.67) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL29692186 0.84 CRYAB (0.77) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL17428544 0.84 MAPT (0.75) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL19198710 0.82 CRYAB (0.55) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL15934993 0.79 CRYAB (0.78) FNTAFNTBCRYABCRYAAMAPT

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 4 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

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 FNTA 120/4885FNTB 444/4885CRYAB 2144/4885

“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.