SCHEMBL2805463

SCHEMBL2805463

CN(C)/C=C(/C=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NQO2 P16083 1/20 0.50
ESR1 P03372 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NR3C1 P04150 2/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
OPRD1 P41143 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 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
SCHEMBL2805466 1.00 POLB (0.53) POLBNQO2ESR1LMNAMAPT
SCHEMBL11066332 0.84 POLB (0.53) POLBNQO2LMNAMAPTKMT2A
SCHEMBL11076121 0.84 POLB (0.53) POLBNQO2LMNAMAPTKMT2A
SCHEMBL11066346 0.84 POLB (0.53) POLBNQO2LMNAMAPTKMT2A
SCHEMBL11083064 0.82 POLB (0.51) POLBKMT2AMEN1TP53ALOX15
SCHEMBL11080951 0.82 POLB (0.65) POLBLMNAMAPTKMT2AMEN1
SCHEMBL11087637 0.82 POLB (0.51) POLBMAPTKMT2AMEN1CYP3A4
SCHEMBL11083067 0.82 POLB (0.51) POLBKMT2AMEN1TP53ALOX15
SCHEMBL8303787 0.82 POLB (0.65) POLBLMNAMAPTKMT2AMEN1
SCHEMBL1239325 0.82 POLB (0.51) POLBLMNAMAPTKMT2AMEN1

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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
EP-1981509-B1 Pyrazolo[1,5-a]pyrimidine derivatives for use in treatment of Alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2010-03-17 EP disclosed
EP-1981509-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2008-10-22 EP disclosed
WO-2007085873-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2007-08-02 WO disclosed
US-4465630-A Tetraazaannulene cobalt complex compounds and method for preparation therefor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-08-14 US disclosed
EP-0073456-A1 Tetraazaannulene cobalt complex compounds and method for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-03-09 EP 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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 POLB 2793/4885NQO2 3866/4885ESR1 2842/4885

“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.