SCHEMBL4683758

SCHEMBL4683758

CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
MAPT P10636 5/20 1.00
ALDH1A1 P00352 7/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GLA P06280 2/20 0.55
GAA P10253 2/20 0.55
FPR1 P21462 6/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL6506553 0.92 MAPT (0.86) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL3952425 0.89 MAPT (0.80) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL13692850 0.89 MAPT (0.80) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11553727 0.86 KDM4E (0.76) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2182899 0.85 KDM4E (0.74) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL28133844 0.84 KDM4E (0.73) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL3204569 0.84 ALDH1A1 (1.00) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11550481 0.84 KDM4E (0.72) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7912467 0.82 KDM4E (0.73) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11550484 0.81 ALDH1A1 (0.71) KDM4EMAPTALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118173162-A Method for analyzing jujube kernel compound action mechanism for regulating and treating insomnia based on network pharmacology and molecular docking and application 武汉轻工大学 2024-06-11 CN disclosed
CN-105311046-A Composition for antiwrinkle, antiinflammatory and skin-whitening effect comprising liquiritin apioside COTDE INC 2016-02-10 CN disclosed
EP-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
EP-1542675-A4 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2008-11-19 EP disclosed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
EP-1765313-A2 COMPOUNDS FOR IMMUNOPOTENTIATION Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
WO-2006002422-A9 COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORP (US) 2006-09-21 WO disclosed
WO-2006002422-A2 COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO disclosed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 WO disclosed
US-6255497-B1 DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. 2001-07-03 US disclosed
US-5624910-A INHIBITING ALDEHYDE DEHYRDOGENASE ACTIVITY USING DAIDZIN THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1997-04-29 US disclosed
EP-0592583-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1994-04-20 EP disclosed
US-5204369-A METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 1993-04-20 US disclosed
WO-1993000896-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1993-01-21 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 (2 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-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 KDM4E 558/4885MAPT 3668/4885ALDH1A1 3995/4885
US-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 KDM4E 1630/4885MAPT 4138/4885ALDH1A1 2/4885

“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.