SCHEMBL4044126

SCHEMBL4044126

COc1cc(C(C)=O)c(O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
NSD2 O96028 1/20 0.64
POLB P06746 1/20 0.64
MCL1 Q07820 1/20 0.64
HTT P42858 1/20 0.53
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
PLK1 P53350 1/20 0.45
EP300 Q09472 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HPGDS O60760 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL17240274 0.85 MAPT (0.50) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL23535311 0.85 KDM4E (0.62) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL406268 0.83 HTT (0.49) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL28542076 0.82 MAPT (0.57) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL18114640 0.82 HTR2A (0.43) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL11210749 0.81 MAPT (0.60) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL25257201 0.81 HTT (0.47) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL23535393 0.81 HPGDS (0.66) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL23569752 0.81 HPGDS (0.47) MAPTMEN1KMT2AKDM4ENSD2
SCHEMBL10903024 0.81 CASP3 (0.61) MAPTMEN1KMT2AKDM4ENSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290409-A Compound for double-targeting inhibition of ABCB1/CYP1B1, preparation method and application 中国科学院基础医学与肿瘤研究所(筹) 2024-07-05 CN disclosed
WO-2021125905-A1 NOVEL THIAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-06-24 WO disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
EP-1495014-B1 FLAVANOIDS DERIVATIVES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS STANFORD RES INST INT (US) 2009-07-29 EP disclosed
EP-1495014-B1 FLAVANOIDS DERIVATIVES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS STANFORD RES INST INT (US) 2009-07-29 EP disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2006-11-23 US disclosed
EP-1495014-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS Sri International (US) 2005-01-12 EP disclosed
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL 2004-02-12 US disclosed
US-20030229136-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL 2003-12-11 US disclosed
WO-2003089423-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS SRI INTERNATIONAL (US) 2003-10-30 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 (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-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, CCNE1, CCNA1 MAPT 4598/4885MEN1 3102/4885KMT2A 3689/4885
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, VEGFA, FLT4 MAPT 4731/4885MEN1 3385/4885KMT2A 3690/4885
US-20030229136-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, VEGFA, FLT4 MAPT 4666/4885MEN1 3434/4885KMT2A 3666/4885

“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.