SCHEMBL21341401

SCHEMBL21341401

CC(C)(C)c1cc2ccc(C(C)(C)C)c(F)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL21341403 0.80 — —
SCHEMBL24630648 0.78 EIF4A3 (0.31) EIF4A3
SCHEMBL24943917 0.78 EIF4A3 (0.56) EIF4A3
SCHEMBL17811240 0.74 KIF11 (0.44) KDM4EALDH1A1HPGD
SCHEMBL12755281 0.73 DAO (0.49) ALDH1A1
SCHEMBL17584904 0.70 TNF (0.44) —
SCHEMBL12755294 0.70 KDM4E (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL10212114 0.68 CA2 (0.39) KDM4EALDH1A1
SCHEMBL20993192 0.68 HRH4 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12755307 0.67 SCD (0.39) ALDH1A1GAA

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 EIF4A3 3067/4885KDM4E 3164/4885ALDH1A1 4171/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA EIF4A3 3467/4885KDM4E 2224/4885ALDH1A1 4501/4885

“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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