SCHEMBL14090263

SCHEMBL14090263

CC(C)c1ccc(-c2ccc(O)c(-c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ HSP90AB1 P08238 2/20 0.49
▸ ACACB O00763 1/20 0.48
▸ ACACA Q13085 1/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ FGFR2 P21802 2/20 0.48
▸ FGFR3 P22607 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ PIK3CD O00329 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL14090245 0.89 MEN1 (0.53) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090212 0.88 PIK3CD (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090204 0.88 FGFR1 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090262 0.86 ALDH1A1 (0.53) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090220 0.86 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090252 0.84 ACACB (0.49) ACACBFGFR1FGFR2FGFR3KDR
SCHEMBL14090236 0.82 MEN1 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090308 0.81 HSP90AA1 (0.53) HDAC6HSP90AA1HSP90AB1FGFR1FGFR2
SCHEMBL14090386 0.81 RIPK1 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090266 0.80 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HDAC6 541/4885HDAC3 911/4885HDAC1 826/4885

“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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