SCHEMBL21100920

SCHEMBL21100920

Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.56
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL10067362 0.85 MEN1 (0.59) KIF11MEN1KMT2ASCN10AKCNH2
SCHEMBL21101466 0.80 KIF11 (0.54) KIF11MEN1KMT2ASCN10AMAPT
SCHEMBL5197622 0.80 ALDH1A1 (0.50) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL2606005 0.80 KIF11 (0.81) KIF11SCN10AMAPTKCNH2ALDH1A1
SCHEMBL29539315 0.80 KIF11 (0.81) KIF11SCN10AMAPTKCNH2ALDH1A1
Bromide SCHEMBL30567841 0.78 KIF11 (0.78) KIF11SCN10AMAPTKCNH2ALDH1A1
SCHEMBL5193466 0.77 KDM4E (0.53) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL24943613 0.77 KIF11 (0.51) KIF11MEN1KMT2ASCN10AMAPT
SCHEMBL31025893 0.76 KIF11 (0.58) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL24839388 0.76 KIF11 (0.68) KIF11MAPTTSHR

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 4 patents. 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
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
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 — — 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 (4 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 KIF11 758/4885MEN1 1552/4885KMT2A 4097/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 KIF11 1092/4885MEN1 1946/4885KMT2A 3969/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KIF11 800/4885MEN1 1685/4885KMT2A 3464/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 KIF11 3237/4885MEN1 2920/4885KMT2A 4063/4885

“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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