SCHEMBL24630688

SCHEMBL24630688

CC(C)(C)c1ccc2cc(C(C)(C)S)n(CO)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 9/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ SCN10A Q9Y5Y9 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ MCL1 Q07820 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
SCHEMBL24630637 0.85 CCR9 (0.37) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL24943824 0.77 CCR9 (0.39) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21341338 0.76 CCR9 (0.40) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21341616 0.74 CCR9 (0.38) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21341612 0.73 CCR9 (0.39) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21341334 0.71 CCR9 (0.39) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21341336 0.70 KCNH2 (0.38) CCR9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL24943616 0.70 CCR9 (0.33) CCR9ALDH1A1HPGDHSD17B10KCNH2
SCHEMBL24944392 0.69 CCR9 (0.36) CCR9KCNH2
SCHEMBL24943811 0.69 CCR9 (0.38) CCR9ALDH1A1HPGDHSD17B10HDAC10

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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 — — 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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 CCR9 2594/4885ALDH1A1 283/4885HPGD 177/4885

“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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