SCHEMBL697386

SCHEMBL697386

COc1ccc(CO)c(OC)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.48
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
HTR5A P47898 2/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.39

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
SCHEMBL4598965 0.88 MEN1 (0.51) KMT2AMEN1POLBPDCD1CD274
SCHEMBL20147971 0.84 PDCD1 (0.46) KMT2AMEN1POLBPDCD1CD274
SCHEMBL1340134 0.83 AOC3 (0.53) KMT2AMEN1POLBTSHRKDM4E
SCHEMBL13067439 0.82 MEN1 (0.49) KMT2AMEN1POLBTSHRKDM4E
SCHEMBL5610344 0.80 PDCD1 (0.39) PDCD1CD274KDM4EMAPTALDH1A1
SCHEMBL3393857 0.80 KMT2A (0.48) KMT2AMEN1POLBTSHRKDM4E
Ether SCHEMBL27467122 0.79 MEN1 (0.45) KMT2AMEN1PDCD1CD274TSHR
SCHEMBL5146259 0.78 HSD17B10 (0.54) KMT2AMEN1POLBTSHRKDM4E
SCHEMBL9817534 0.78 PDE4A (0.50) KMT2AMEN1PDCD1CD274MAPT
SCHEMBL34463016 0.77 TAAR1 (0.52) KMT2AMEN1POLBKDM4ETAAR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 CN disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (4 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-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885POLB 3099/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 KMT2A 2392/4885MEN1 4060/4885POLB 890/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MEN1 493/4885POLB 3099/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 KMT2A 2392/4885MEN1 4060/4885POLB 890/4885

“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.