SCHEMBL642228

SCHEMBL642228

COc1ccc(-c2ccc(OC)c(OC)c2OC)c(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTGS2 P35354 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ERN1 O75460 1/20 0.47
AMY1A P0DUB6 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL3674074 0.88 CA9 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL30701949 0.88 CA9 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL29068845 0.85 HDAC4 (0.47) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL4579619 0.82 HDAC4 (0.53) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL29788008 0.82 HDAC4 (0.53) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL10536041 0.82 HDAC4 (0.57) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL5804679 0.82 HDAC4 (0.76) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL27490310 0.82 HDAC4 (0.57) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL16812107 0.80 HDAC4 (0.73) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL28322511 0.80 CYP1A1 (0.44) HDAC4HDAC2HDAC8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304128-A Method for continuously synthesizing biphenyl compound 常州大学 2023-12-29 CN disclosed
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 US disclosed
WO-2022121977-A1 PHARMACEUTICAL APPLICATION OF FUSED-RING PHENOLIC COMPOUND 润佳(苏州)医药科技有限公司 2022-06-16 WO disclosed
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides SYNGENTA PARTICIPATIONS AG (CH) 2021-07-06 US disclosed
WO-2021073456-A1 MACROCYCLIC AND CAGE-LIKE MOLECULES BASED ON BIPHENYLARENE AND DERIVATIVE COMPOUNDS, SYNTHESIS METHOD THEREFOR AND USE THEREOF 天津师范大学 2021-04-22 WO disclosed
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2020-12-31 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-20110040091-A1 PROCESS FOR THE PREPARATION OF (R)-2-PHENYL PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-17 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 (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-20110040091-A1 PROCESS FOR THE PREPARATION OF (R)-2-PHENYL PROPIONIC ACID DERIVATIVES PCCA, GRHPR, GABRR2 HDAC4 2806/4885HDAC2 1597/4885HDAC8 4013/4885
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP HDAC4 4177/4885HDAC2 2263/4885HDAC8 2534/4885
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES TBCB, ADORA2B, ADRA2B HDAC4 2297/4885HDAC2 808/4885HDAC8 1239/4885
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides TBCB, ADORA2B, CCNB3 HDAC4 2519/4885HDAC2 791/4885HDAC8 1239/4885

“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.