SCHEMBL670129

SCHEMBL670129

CC(C)=CCOc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 1/20 0.46
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
MAOB P27338 1/20 0.45
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL8036010 0.89 KDM4E (0.53) KDM4EALDH1A1MTNR1AMAOBHTT
SCHEMBL4114408 0.83 KDM4E (0.49) KDM4EALDH1A1MTNR1AMAOBHTT
SCHEMBL9727736 0.82 CYP19A1 (0.48) KDM4EALDH1A1MTNR1AMAOBPTPN1
SCHEMBL14012896 0.82 MAOB (0.52) KDM4EALDH1A1MTNR1AMAOBHTT
SCHEMBL9856070 0.82 MGAM (0.55) KDM4EALDH1A1MTNR1AMAOBGAA
SCHEMBL9274462 0.81 KDM4E (0.44) KDM4EALDH1A1MTNR1AMAOBPTPN1
SCHEMBL9856624 0.80 KDM4E (0.46) KDM4EALDH1A1MTNR1AMAOBHTT
SCHEMBL20024720 0.80 MAPT (0.55) KDM4EALDH1A1MTNR1ATP53MAOB
SCHEMBL11555831 0.80 MAOB (0.53) KDM4EALDH1A1MTNR1AMAOBHTT
SCHEMBL1135899 0.79 NDUFS8 (0.49) KDM4EALDH1A1MTNR1AMAOBPPARG

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
CN-112585147-A MAP4K4 inhibitors 帝国科技及医学学院 2021-03-30 CN disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed
WO-2019073253-A1 MAP4K4 INHIBITORS IMPERIAL INNOVATIONS LIMITED (GB) 2019-04-18 WO disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-6794529-B2 CATALYTIC REACTION OF DIBORANE COMPOUND USING GROUP 8 METAL CATALYST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-09-21 US disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
US-20030032838-A1 Substituted diboron compounds BORON MOLECULAR PTY LIMITED (AU) 2003-02-13 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
EP-1224190-A1 SUBSTITUTED DIBORON COMPOUNDS Commonwealth Scientific and Research Organisation (AU) 2002-07-24 EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2001029051-A1 SUBSTITUTED DIBORON COMPOUNDS COMMONWEALTH SCIENTIFIC AND RESEARCH ORGANISATION (AU) 2001-04-26 WO disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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 (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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 PPARD 3730/4885KDM4E 1974/4885ALDH1A1 994/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 PPARD 3272/4885KDM4E 742/4885ALDH1A1 1426/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 PPARD 1284/4885KDM4E 4239/4885ALDH1A1 961/4885
US-20030032838-A1 Substituted diboron compounds DBF4, BOLA2; BOLA2B, BRI3BP PPARD 3096/4885KDM4E 2661/4885ALDH1A1 3481/4885

“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.