SCHEMBL12883298

SCHEMBL12883298

CCC(=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ OPRM1 P35372 4/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ GRIN2D O15399 2/20 0.49
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2A Q12879 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49

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
SCHEMBL13828216 0.84 OPRM1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL270134 0.83 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10999607 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13545191 0.81 OPRM1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10293315 0.81 OPRM1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12282314 0.81 OPRM1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15893215 0.79 OPRM1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL463621 0.78 OPRM1 (0.53) OPRM1DRD3DRD2CYP2C19HIF1A
SCHEMBL30497944 0.78 OPRM1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27825524 0.78 OPRM1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — 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 (3 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC3 4/4885HDAC4 5/4885HDAC1 3/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 HDAC3 2454/4885HDAC4 3062/4885HDAC1 2244/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC3 4/4885HDAC4 5/4885HDAC1 3/4885

“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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