SCHEMBL21341333

SCHEMBL21341333

CC(C)c1ccc2cc(C(C)(C)C)n(C3COC3)c2c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL21341468 0.82 KCNH2 (0.32) —
SCHEMBL21341399 0.82 HSD11B1 (0.34) —
SCHEMBL23171626 0.73 HTR7 (0.35) HTR7
SCHEMBL24943834 0.73 KCNH2 (0.30) —
SCHEMBL24944390 0.70 — —
SCHEMBL20676266 0.69 PIK3CD (0.36) HTR7
SCHEMBL21341332 0.68 HSD11B1 (0.36) —
SCHEMBL24944391 0.66 ALDH1A1 (0.37) —
SCHEMBL24630687 0.65 KCNH2 (0.33) —
SCHEMBL24944394 0.65 CASR (0.46) —

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-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — 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 (2 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-11130749-B2 — ROCK1, RHOA, ROCK2 HTR7 3556/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA HTR7 3449/4885

“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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