SCHEMBL4742401

SCHEMBL4742401

CC(=O)c1c(C)cc2ccc(-c3ccc4cc(C)c(C(C)=O)c(O)c4c3O)c(O)c2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
IDO1 P14902 1/20 0.35
CYP3A4 P08684 2/20 0.34
THRB P10828 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
APEX1 P27695 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL29437881 1.00 HSD17B1 (0.36) HSD17B1IDO1CYP3A4THRBMEN1
Nepodin SCHEMBL1673268 0.78 MEN1 (0.53) IDO1CYP3A4THRBMEN1HPGD
Nepodin SCHEMBL30189621 0.78 MEN1 (0.53) IDO1CYP3A4THRBMEN1HPGD
SCHEMBL20020937 0.73 MAPT (0.47) CYP3A4CA9LMNAMAPTRECQL
SCHEMBL1672199 0.72 SELL (0.39) IDO1CYP3A4THRBMEN1HPGD
SCHEMBL12800168 0.72 CYP3A4 (0.52) IDO1CYP3A4MEN1HPGDKMT2A
SCHEMBL9617423 0.71 IDO1 (0.48) IDO1CYP3A4SMN1; SMN2PTPN11LMNA
SCHEMBL12800166 0.69 MAPT (0.44) IDO1CYP3A4MEN1HPGDKMT2A
SCHEMBL2046049 0.69 CYP3A4 (0.52) CYP3A4THRBMEN1HPGDKMT2A
Isotorachrysone SCHEMBL16226209 0.68 CYP3A4 (0.47) IDO1CYP3A4MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
WO-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed
US-7132403-B2 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-11-07 US disclosed
CN-1658757-A Antihelminthic anthraquinones and method of use thereof UNIV MICHIGAN (US) 2005-08-24 CN disclosed
US-6903076-B2 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-06-07 US disclosed
US-6838443-B2 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-01-04 US disclosed
US-6800615-B2 PARASITICIDES, NEMATOCIDES BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-10-05 US disclosed
US-20040152645-A1 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-08-05 US disclosed
US-20040116361-A1 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-06-17 US disclosed
US-20040106686-A1 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-06-03 US disclosed
US-20030229032-A1 Antihelminthic anthraquinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-12-11 US disclosed
WO-2003089577-A2 ANTIHELMINTHIC ANTHRAQUINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (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-20030229032-A1 Antihelminthic anthraquinones and method of use thereof HRH2, HRH3, HRH1 HSD17B1 300/4885IDO1 898/4885CYP3A4 627/4885
US-20040152645-A1 Antihelminthic anthraquinones and method of use thereof HRH2, HRH3, HRH1 HSD17B1 300/4885IDO1 898/4885CYP3A4 627/4885
US-20040106686-A1 Antihelminthic anthraquinones and method of use thereof HRH2, HRH3, HRH1 HSD17B1 300/4885IDO1 898/4885CYP3A4 627/4885

“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.