SCHEMBL20229595

SCHEMBL20229595

CCC(=O)c1cnn2c(C3CC3)c(O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 8/20 0.43
▸ KEAP1 Q14145 2/20 0.38
▸ NFE2L2 Q16236 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.36
▸ SPR P35270 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ SLC9A1 P19634 1/20 0.33
▸ SLC9A2 Q9UBY0 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17454490 0.85 KEAP1 (0.40) PLATKEAP1NFE2L2SPRKDM4E
SCHEMBL17437928 0.81 SPR (0.49) PLATKEAP1NFE2L2SPRKDM4E
SCHEMBL21946618 0.80 PLAT (0.39) PLATDPP4
SCHEMBL21948590 0.79 ROCK2 (0.39) PLATROCK2
SCHEMBL23889193 0.78 ROCK2 (0.38) PLATROCK2
SCHEMBL19902682 0.78 ROCK2 (0.52) ROCK2
SCHEMBL21948585 0.76 ROCK2 (0.39) PLATROCK2
SCHEMBL21947307 0.76 ROCK2 (0.37) PLATROCK2
SCHEMBL21947213 0.76 PLAT (0.39) PLATROCK2
SCHEMBL21946550 0.75 MAPK8 (0.38) PLATROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PLAT 2610/4885KEAP1 247/4885NFE2L2 1220/4885

“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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