SCHEMBL21101467

SCHEMBL21101467

CC(C)(C)c1cc2cc(Cl)c(C(C)(C)C)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
HTT P42858 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
SCHEMBL22330349 0.86 AR (0.39) ARHTT
SCHEMBL21100917 0.77 AR (0.34) ARHTT
SCHEMBL4568386 0.77 EHMT2 (0.42)
SCHEMBL8957459 0.74 CSNK2A1 (0.50)
SCHEMBL13334421 0.74 KDM4E (0.32)
SCHEMBL13334391 0.74 CFTR (0.33)
SCHEMBL13923569 0.73 LOXL2 (0.50)
SCHEMBL4568037 0.73 DAO (0.49)
SCHEMBL3709397 0.72 KDM4E (0.38)
SCHEMBL12786668 0.71 CHEK1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
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 (3 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA AR 4338/4885HTT 3403/4885
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 4478/4885HTT 2513/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 AR 2323/4885HTT 3441/4885

“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.