SCHEMBL21341731

SCHEMBL21341731

C=Cn1c(C(C)C)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.33
▸ CCR9 P51686 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL24943617 0.80 ALDH1A1 (0.36) KCNH2CCR9ALDH1A1HPGDALOX15
SCHEMBL24943301 0.78 KCNH2 (0.39) KCNH2CCR9ALDH1A1HPGDALOX15
SCHEMBL21341730 0.76 KCNH2 (0.35) KCNH2CCR9ALDH1A1HPGDALOX15
SCHEMBL21341337 0.76 KCNH2 (0.33) KCNH2CCR9ALDH1A1HPGDALOX15
SCHEMBL24943790 0.74 CCR9 (0.39) KCNH2CCR9ALDH1A1HPGDHSD17B10
SCHEMBL24943615 0.73 CCR9 (0.38) KCNH2CCR9
SCHEMBL21341338 0.73 CCR9 (0.40) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL24630686 0.72 KCNH2 (0.31) KCNH2
SCHEMBL24944393 0.72 OPRM1 (0.35) KCNH2ALDH1A1HPGD
SCHEMBL24943810 0.72 CCR9 (0.37) CCR9TDP1

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-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-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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KCNH2 4406/4885CCR9 3518/4885ALDH1A1 4501/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KCNH2 4406/4885CCR9 3518/4885ALDH1A1 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.

Send feedback