SCHEMBL409989

SCHEMBL409989

CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.76
EGFR P00533 12/20 0.76
HSP90AA1 P07900 3/20 0.70
CKS1B P61024 2/20 0.58
SKP2 Q13309 2/20 0.58
SKP1 P63208 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
SYK P43405 1/20 0.55
RGS12 O14924 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LCK P06239 1/20 0.53
MAPT P10636 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL5794016 0.87 HKDC1 (1.00) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL412644 0.81 HKDC1 (0.74) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL1424091 0.79 EGFR (0.73) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL6255527 0.78 EGFR (0.71) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL28562225 0.77 HKDC1 (0.68) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL9163440 0.77 EGFR (1.00) HKDC1EGFRHSP90AA1SYKRGS12
Methane SCHEMBL15543484 0.76 HKDC1 (0.66) HKDC1EGFRHSP90AA1CKS1BSKP2
SCHEMBL29607886 0.75 EGFR (1.00) HKDC1EGFRRGS12ALDH1A1LCK
SCHEMBL23619645 0.74 CA1 (0.47) EGFRCA1CA2ALDH1A1MAPT
SCHEMBL1711035 0.74 CA1 (0.73) HSP90AA1CA1CA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819662-B1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2019-04-10 EP disclosed
EP-2819662-B1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2019-04-10 EP disclosed
US-9552457-B2 Reprogramming effector protein interactions to correct epigenetic defects in cancer BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-01-24 US disclosed
US-9552457-B2 Reprogramming effector protein interactions to correct epigenetic defects in cancer BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-01-24 US disclosed
US-9552457-B2 Reprogramming effector protein interactions to correct epigenetic defects in cancer BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-01-24 US disclosed
US-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-06-04 US disclosed
US-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-06-04 US disclosed
US-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-06-04 US disclosed
WO-2013127011-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2013-09-06 WO disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 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-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER CBX2, BPTF, CBX4 HKDC1 3663/4885EGFR 2572/4885HSP90AA1 1569/4885

“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.