SCHEMBL21341616

SCHEMBL21341616

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 9/20 0.38
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL21341612 0.85 CCR9 (0.39) CCR9HDAC10HDAC6NR1I2KDM4E
SCHEMBL24943616 0.84 CCR9 (0.33) CCR9SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL21341334 0.82 CCR9 (0.39) CCR9HDAC10HDAC6NR1I2SMN1; SMN2
SCHEMBL21341336 0.81 KCNH2 (0.38) CCR9HDAC10HDAC6NR1I2KDM4E
SCHEMBL24943811 0.80 CCR9 (0.38) CCR9HDAC10HDAC6NR1I2SMN1; SMN2
SCHEMBL20618779 0.80 KDM4E (0.39) CCR9HDAC10HDAC6NR1I2KDM4E
SCHEMBL24943790 0.79 CCR9 (0.39) CCR9SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14615956 0.79 HDAC10 (0.51) HDAC10HDAC6KDM4EALDH1A1HPGD
SCHEMBL20618778 0.77 KCNH2 (0.41) CCR9HDAC10HDAC6NR1I2ALDH1A1
SCHEMBL21341470 0.75 HDAC10 (0.39) CCR9HDAC10HDAC6NR1I2ALDH1A1

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 CCR9 3598/4885HDAC10 1747/4885HDAC6 279/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CCR9 3518/4885HDAC10 2327/4885HDAC6 787/4885

“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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