SCHEMBL24943616

SCHEMBL24943616

CCn1c(C(C)(C)CCS)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 6/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ RORA P35398 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ RORB Q92753 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
SCHEMBL21341616 0.84 CCR9 (0.38) CCR9KDM4EALDH1A1HPGDHTT
SCHEMBL24944392 0.77 CCR9 (0.36) CCR9KCNH2
SCHEMBL21341334 0.71 CCR9 (0.39) CCR9KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24943790 0.71 CCR9 (0.39) CCR9KDM4EALDH1A1HPGDHTT
SCHEMBL21341612 0.70 CCR9 (0.39) CCR9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24630688 0.70 CCR9 (0.38) CCR9ALDH1A1HPGDHSD17B10KCNH2
SCHEMBL24630637 0.70 CCR9 (0.37) CCR9ALDH1A1HPGDHSD17B10KCNH2
SCHEMBL20618779 0.69 KDM4E (0.39) CCR9KDM4EALDH1A1HTTKCNH2
SCHEMBL24943789 0.68 DHFR (0.37) ALDH1A1HTTSMN1; SMN2KCNH2
SCHEMBL21341336 0.67 KCNH2 (0.38) CCR9KDM4EALDH1A1HPGDHSD17B10

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCR9 3518/4885KDM4E 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.

Send feedback