SCHEMBL5583397

SCHEMBL5583397

COc1ccc(CNc2ccc3oc(C(=O)O)cc3c2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.53
KDM4C Q9H3R0 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
PPARA Q07869 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
HIF1A Q16665 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
APLNR P35414 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
SCHEMBL2733675 0.91 DHFR (0.50) DHFRKDM4CTP53LMNAKMT2A
SCHEMBL209125 0.83 TP53 (0.56) TP53KMT2AMEN1
SCHEMBL5583428 0.82 HIF1A (0.58) TP53LMNAPPARAKMT2AMEN1
SCHEMBL3558423 0.81 TUBB4A (0.54) DHFRTP53LMNAKMT2AMEN1
SCHEMBL3560484 0.79 LMNA (0.56) DHFRTP53LMNAKMT2AMEN1
SCHEMBL29527237 0.78 KDM4E (0.66) TP53LMNATAS1R3TAS1R1CA1
SCHEMBL335319 0.78 KDM4E (0.66) TP53LMNATAS1R3TAS1R1CA1
SCHEMBL21639656 0.78 CA1 (0.72) DHFRKDM4CPPARAKMT2AMEN1
Methylene Chloride SCHEMBL28849518 0.77 LMNA (0.62) TP53LMNAKMT2ATAS1R3TAS1R1
Hydrochloric Acid SCHEMBL11498190 0.77 KDM4E (0.64) TP53LMNATAS1R3TAS1R1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 DHFR 460/4885KDM4C 180/4885TP53 86/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 DHFR 386/4885KDM4C 187/4885TP53 115/4885

“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.