SCHEMBL14090262

SCHEMBL14090262

CC(C)c1ccc(-c2ccc(O)c(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ ACACB O00763 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ F7 P08709 1/20 0.42
▸ FGFR1 P11362 4/20 0.42
▸ KDR P35968 4/20 0.42
▸ FGFR2 P21802 3/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 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
SCHEMBL14090244 0.90 MGLL (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090211 0.89 PKN1 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090202 0.88 SIRT2 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090218 0.87 MGLL (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090263 0.86 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090259 0.85 ACACB (0.46) ALDH1A1POLBHDAC6ACACBF7
SCHEMBL14090235 0.83 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090307 0.83 FGFR1 (0.46) HDAC6F7FGFR1KDRFGFR2
SCHEMBL14090374 0.83 MGLL (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090345 0.81 AMY1A (0.49) ALDH1A1POLBHDAC6HDAC3HDAC1

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 ALDH1A1 2293/4885POLB 3633/4885HDAC6 541/4885

“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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