SCHEMBL21100917

SCHEMBL21100917

CCc1cc2cc(Cl)c(C(C)(C)C)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RHEB Q15382 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 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
SCHEMBL21101467 0.77 AR (0.41) ARHTT
SCHEMBL13072463 0.75 LOXL2 (0.41) LOXL2GAAHTTRHEBGRIN2D
SCHEMBL17351268 0.72 CSNK2A1 (0.44) LOXL2GAAHTTRHEBGRIN2D
SCHEMBL10058615 0.69 GHSR (0.43) LOXL2
SCHEMBL13624442 0.68 ALOX15 (0.50) LOXL2
SCHEMBL2056276 0.68 LOXL2 (0.68) LOXL2
SCHEMBL3924867 0.67 GPR35 (0.46) LOXL2RHEB
SCHEMBL13072465 0.67 CYP2A6 (0.42) LOXL2GAAHTT
SCHEMBL26422975 0.67 GPR84 (0.38) LOXL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8957459 0.67 CSNK2A1 (0.50) GAA

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-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 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-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 AR 4478/4885LOXL2 1234/4885GAA 1344/4885

“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.