SCHEMBL3486438

SCHEMBL3486438

COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2C=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FASN P49327 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 4/20 0.39
CSNK2A1 P68400 4/20 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
SCHEMBL29699646 1.00 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL27896979 0.84 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL1973909 0.81 MEN1 (0.53) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL1976272 0.81 MEN1 (0.53) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL18293522 0.80 ESR1 (0.45) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL4846708 0.80 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL13499635 0.77 XDH (0.55) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL15210311 0.75 CSNK2A2 (0.46) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL18223919 0.74 FASN (0.70) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL29442899 0.74 TNKS2 (0.49) MEN1KMT2ACYP3A4ALDH1A1HPGD

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
CN-116994653-A Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2023-11-03 CN claimed
CN-116994653-A Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2023-11-03 CN disclosed
US-11066378-B2 Caffeic acid derivatives for anti-angiogenesis TAIPEI MEDICAL UNIVERSITY (TW) 2021-07-20 US disclosed
CN-104771601-B A kind of combination agent for improving blood viscosity and hematoblastic aggregation 张坤镛 2018-06-19 CN disclosed
US-20160355493-A1 CAFFEIC ACID DERIVATIVES FOR ANTI-ANGIOGENESIS CHINA MEDICAL UNIVERSITY (TW) 2016-12-08 US disclosed
US-9131648-B2 Genes encoding chavicol/eugenol synthase from the creosote bush Larrea tridentata WASHINGTON STATE UNIVERSITY (US) 2015-09-15 US disclosed
US-9131648-B2 Genes encoding chavicol/eugenol synthase from the creosote bush Larrea tridentata WASHINGTON STATE UNIVERSITY (US) 2015-09-15 US disclosed
CN-104771601-A Combination agent for improving blood viscosity and platelet aggregation ZHANG KUNYONG 2015-07-15 CN disclosed
US-20100031398-A1 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA WASHINGTON STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20100031398-A1 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA WASHINGTON STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20050181080-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2005-08-18 US 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-20160355493-A1 CAFFEIC ACID DERIVATIVES FOR ANTI-ANGIOGENESIS VEGFA, KDR, FLT1 MEN1 4091/4885KMT2A 697/4885CYP3A4 3246/4885
US-20100031398-A1 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA CNOT1, CRAT, LRAT MEN1 4874/4885KMT2A 1080/4885CYP3A4 305/4885
US-11066378-B2 Caffeic acid derivatives for anti-angiogenesis VEGFA, KDR, FLT1 MEN1 4091/4885KMT2A 697/4885CYP3A4 3246/4885

“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.