SCHEMBL21341404

SCHEMBL21341404

Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)c(F)c21

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ATM Q13315 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
SCHEMBL24944146 0.79 — —
SCHEMBL21341402 0.76 CFTR (0.37) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22278010 0.75 CA2 (0.38) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12755272 0.71 CDK4 (0.31) —
SCHEMBL24188636 0.68 ALKBH5 (0.38) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10212114 0.67 CA2 (0.39) KDM4ECYP1A2
SCHEMBL21024142 0.66 PIK3CD (0.39) KDM4E
SCHEMBL23478882 0.64 KDM4E (0.35) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23171757 0.62 MAPT (0.46) CYP1A2ATM
SCHEMBL20618778 0.62 KCNH2 (0.41) CYP1A2CYP2C19

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 KDM4E 3164/4885CYP1A2 2822/4885CYP3A4 4485/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KDM4E 2224/4885CYP1A2 2243/4885CYP3A4 3475/4885

“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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