SCHEMBL1235245

SCHEMBL1235245

O=C(O)C=C1C=CC2=C(CCC=C2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CAMK2A Q9UQM7 1/20 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
SCHEMBL9421106 0.79 — —
SCHEMBL9421101 0.79 — —
SCHEMBL9421065 0.76 — —
SCHEMBL2748103 0.75 HDAC1 (0.58) —
SCHEMBL2747705 0.74 HDAC1 (0.42) —
SCHEMBL9421048 0.72 HMGCR (0.33) CYP2C9
SCHEMBL9421094 0.72 — —
SCHEMBL6904056 0.71 HTR2B (0.46) CYP1A2CYP2D6CYP2C19
SCHEMBL20773893 0.70 LMNA (0.45) CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5902888 0.70 SLC6A2 (0.47) CYP1A2CYP2D6CYP2C19

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-8178577-B2 Tricyclic derivatives as potent and selective histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-05-15 — — US disclosed
EP-2285376-A1 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS Chipscreen Biosciences Ltd. (CN) 2011-02-23 — — EP disclosed
US-20090292001-A1 TRICYCLIC DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-11-26 — — US disclosed
WO-2009140164-A1 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES LTD. (CN) 2009-11-19 — — WO 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-20090292001-A1 TRICYCLIC DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC10 CYP1A2 3788/4885CYP2D6 4409/4885CYP2C9 4531/4885

“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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