SCHEMBL24943790

SCHEMBL24943790

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 9/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ DNMT1 P26358 3/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL24943615 0.86 CCR9 (0.38) CCR9KCNH2DNMT1PGRRORA
SCHEMBL21341338 0.86 CCR9 (0.40) CCR9ALDH1A1HPGDHSD17B10DNMT1
SCHEMBL24630643 0.81 CASR (0.38) CCR9SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL24943301 0.79 KCNH2 (0.39) CCR9SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL21341616 0.79 CCR9 (0.38) CCR9SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL21341730 0.78 KCNH2 (0.35) CCR9SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL21907095 0.78 ACSS2 (0.41) CCR9MAPT
SCHEMBL19121275 0.75 CA12 (0.43) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL4883666 0.74 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL21341731 0.74 KCNH2 (0.33) CCR9ALDH1A1HPGDHSD17B10KCNH2

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 3518/4885SMN1; SMN2 2820/4885KDM4E 2224/4885

“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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