SCHEMBL1878441

SCHEMBL1878441

CC(C)(C)C(=Cc1cccc(C=O)n1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TERT O14746 15/20 0.37
ALDH1A1 P00352 1/20 0.35
CCR1 P32246 1/20 0.32
ADORA1 P30542 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL1878439 1.00 TERT (0.37) TERTALDH1A1CCR1ADORA1FGFR4
SCHEMBL2330046 0.72 UNG (0.47) ALDH1A1
SCHEMBL2330049 0.72 UNG (0.47) ALDH1A1
SCHEMBL1879689 0.72 EGFR (0.34) ALDH1A1
SCHEMBL1879690 0.72 EGFR (0.34) ALDH1A1
SCHEMBL303150 0.72 CCR1 (0.55) TERTALDH1A1CCR1
SCHEMBL9874966 0.71 KMT2A (0.46) ALDH1A1
SCHEMBL7661024 0.71 TERT (0.49) TERTCCR1FGFR4
SCHEMBL1580085 0.70 EGFR (0.49) ALDH1A1
SCHEMBL1580086 0.70 EGFR (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 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 (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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 TERT 1496/4885ALDH1A1 1433/4885CCR1 2459/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 TERT 1381/4885ALDH1A1 1754/4885CCR1 2342/4885
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 TERT 978/4885ALDH1A1 1641/4885CCR1 1836/4885

“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.