SCHEMBL4133119

SCHEMBL4133119

COCOc1cc(OCOC)c(C(C)=O)c(OCOC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
EGFR P00533 1/20 0.36
BACE1 P56817 1/20 0.36
ROR1 Q01973 1/20 0.36

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
SCHEMBL12375248 0.95 CYP3A4 (0.51) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL26481059 0.91 CYP3A4 (0.54) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL30792317 0.90 CYP3A4 (0.58) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL656327 0.90 CYP3A4 (0.58) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL28652556 0.89 CYP3A4 (0.41) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL23327124 0.88 CYP3A4 (0.60) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL30545309 0.88 CYP3A4 (0.60) CYP3A4SMN1; SMN2USP2MAPK1KMT2A
SCHEMBL16166347 0.88 TP53 (0.45) CYP3A4MAPK1KMT2AMAPTKDM4E
SCHEMBL31415699 0.88 TP53 (0.45) CYP3A4MAPK1KMT2AMAPTKDM4E
SCHEMBL23804635 0.85 CYP3A4 (0.45) CYP3A4SMN1; SMN2USP2MAPK1KMT2A

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
US-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 US disclosed
US-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 US disclosed
CN-110294732-B Pharmaceutical compound for treating liver diseases and application thereof 江苏新元素医药科技有限公司 2021-10-26 CN disclosed
US-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2021-08-12 US disclosed
EP-3805216-A1 COMPOUNDS FOR TREATMENT OR PREVENTION OF LIVER DISEASES Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2021-04-14 EP disclosed
US-10450292-B2 Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols Rutgers, The State University of New Jersesy (US) 2019-10-22 US disclosed
US-20190023682-A1 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-24 US disclosed
WO-2017100645-A2 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-06-15 WO disclosed
WO-2017100645-A2 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-06-15 WO disclosed
US-20090092624-A1 Antiinfective Flavononol Compounds and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2009-04-09 US disclosed
WO-2001007034-A1 MULTIDRUG RESISTANCE PUMP INHIBITORS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2001-02-01 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 (5 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-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES SLC10A1, GYS2, CPT1A CYP3A4 187/4885SMN1; SMN2 2676/4885USP2 4095/4885
US-20190023682-A1 INHIBITORS OF BACTERIAL RNA POLYMERASE: ARYLPROPANOYL, ARYLPROPENOYL, AND ARYLCYCLOPROPANECARBOXYL PHLOROGLUCINOLS RNGTT, ELL, PGLS CYP3A4 2495/4885SMN1; SMN2 4815/4885USP2 1776/4885
US-20090092624-A1 Antiinfective Flavononol Compounds and Methods of Use Thereof MPO, VIP, FABP2 CYP3A4 385/4885SMN1; SMN2 4160/4885USP2 2432/4885
US-10450292-B2 Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols RNGTT, ELL, PGLS CYP3A4 2495/4885SMN1; SMN2 4815/4885USP2 1776/4885
US-11643405-B2 Compound for treatment or prevention of liver diseases SLC10A1, GYS2, CPT1A CYP3A4 187/4885SMN1; SMN2 2676/4885USP2 4095/4885

“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.