SCHEMBL21341334

SCHEMBL21341334

COCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 9/20 0.39
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31

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
SCHEMBL24944392 0.87 CCR9 (0.36) CCR9POLBKCNH2
SCHEMBL24943811 0.85 CCR9 (0.38) CCR9HDAC10HDAC6NR1I2POLB
SCHEMBL21341616 0.82 CCR9 (0.38) CCR9HDAC10HDAC6NR1I2KCNH2
SCHEMBL21341612 0.81 CCR9 (0.39) CCR9HDAC10HDAC6NR1I2KCNH2
SCHEMBL21341470 0.80 HDAC10 (0.39) CCR9HDAC10HDAC6NR1I2HSD17B10
SCHEMBL21341336 0.77 KCNH2 (0.38) CCR9HDAC10HDAC6NR1I2KCNH2
SCHEMBL20618779 0.76 KDM4E (0.39) CCR9HDAC10HDAC6NR1I2POLB
SCHEMBL20618778 0.73 KCNH2 (0.41) CCR9HDAC10HDAC6NR1I2KCNH2
SCHEMBL24943617 0.71 ALDH1A1 (0.36) CCR9KCNH2MEN1KMT2AHSD17B10
SCHEMBL24630637 0.71 CCR9 (0.37) CCR9KCNH2HSD17B10ALDH1A1HPGD

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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