SCHEMBL377596

SCHEMBL377596

Cc1cc(C)c(C(=O)O)c(C)c1.Cc1cc(C)c(C(=O)O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP3A4 P08684 2/20 0.54
ACHE P22303 1/20 0.54
TPMT P51580 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.45
HCAR1 Q9BXC0 1/20 0.44
NOTUM Q6P988 1/20 0.44
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
POLB P06746 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
IGFBP3 P17936 1/20 0.42
KMT2A Q03164 2/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL21870 1.00 KDM4E (0.55) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6916749 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6915288 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
Hydrochloric Acid SCHEMBL5167636 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6917032 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL17558193 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6915449 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6912557 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6912704 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6916700 0.97 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-20230303609-A1 2′-DEOXY-2′,2′-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
US-20220411457-A1 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-12-29 US disclosed
CN-114206389-A Multivalent ligand clusters for targeted delivery of therapeutic agents 有丝分裂疗法有限责任公司 2022-03-18 CN disclosed
US-11028119-B2 Synthetic route to 2′-deoxy-2′,2′-difluorotetrahydrouridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-06-08 US disclosed
WO-2021071890-A1 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 WO disclosed
US-10870646-B2 Oxazolidinones and pharmaceutical compositions thereof for treating bacterial infections, including infection of Mycobacterium tuberculosis UNIVERSITY OF ST. THOMAS (US) 2020-12-22 US disclosed
WO-2020232115-A1 BIFUNCTIONAL NUTLIN-LENALIDOMIDE DERIVATIVES ((4,5-DIHYDRO-1H-IMIDAZOLE-1-CARBONYL)PIPERAZIN-1-YL-[LINKER]-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES) AS MDM2 DEGRADERS AND MDM2-P53 INHIBITORS FOR USE IN CANCER THERAPY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-11-19 WO disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
WO-2002012214-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2002-02-14 WO disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US disclosed
WO-2001074813-A2 METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (8 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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD KDM4E 843/4885L3MBTL1 3159/4885CYP3A4 1163/4885
US-20220411457-A1 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME DCTD, DUT, DHODH KDM4E 3181/4885L3MBTL1 3920/4885CYP3A4 363/4885
US-11028119-B2 Synthetic route to 2′-deoxy-2′,2′-difluorotetrahydrouridines DHFR, DPYD, DHODH KDM4E 3736/4885L3MBTL1 2872/4885CYP3A4 168/4885
US-10870646-B2 Oxazolidinones and pharmaceutical compositions thereof for treating bacterial infections, including infection of Mycobacterium tuberculosis OXA1L, IMMT, TBCD KDM4E 3961/4885L3MBTL1 1960/4885CYP3A4 1005/4885
US-20230303609-A1 2′-DEOXY-2′,2′-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME DCTD, DUT, DHODH KDM4E 3136/4885L3MBTL1 3933/4885CYP3A4 404/4885
US-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC KDM4E 542/4885L3MBTL1 3482/4885CYP3A4 20/4885
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines TPH2, TPH1, IDO2 KDM4E 1223/4885L3MBTL1 4010/4885CYP3A4 36/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 KDM4E 1467/4885L3MBTL1 4526/4885CYP3A4 8/4885

“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.