SCHEMBL22861287

SCHEMBL22861287

COC(=O)c1cc(-c2cn[nH]c2)ccc1Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.43
▸ ROCK1 Q13464 13/20 0.43
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL22861238 0.89 ROCK2 (0.52) ROCK2ROCK1RAB9A
SCHEMBL22861324 0.89 ROCK2 (0.47) ROCK2ROCK1NR4A2
SCHEMBL21359470 0.88 XDH (0.48) ROCK2ROCK1POLB
SCHEMBL22861282 0.87 ROCK2 (0.47) ROCK2ROCK1MAPT
SCHEMBL21359320 0.85 MIF (0.52) ROCK2ROCK1ALPL
SCHEMBL22861315 0.82 ROCK2 (0.44) ROCK2ROCK1NR4A2
SCHEMBL22861266 0.82 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL21359480 0.81 KDM4E (0.51) ROCK2ROCK1ALPLPOLB
SCHEMBL27411835 0.79 CYP46A1 (0.48) POLBMAPTNR4A2
SCHEMBL21359335 0.77 MIF (0.53) ROCK2ROCK1POLB

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-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2021-01-07 — — 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-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R ROCK2 1167/4885ROCK1 1458/4885ALPL 4377/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R ROCK2 1259/4885ROCK1 1537/4885ALPL 4433/4885

“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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