SCHEMBL14053704

SCHEMBL14053704

O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 1.00
▸ PKM P14618 3/20 1.00
▸ MAPT P10636 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ APEX1 P27695 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ INPPL1 O15357 1/20 1.00
▸ ALPL P05186 1/20 1.00
▸ POLB P06746 1/20 1.00
▸ ALPI P09923 1/20 1.00
▸ GAA P10253 1/20 1.00
▸ ALPG P10696 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ BLM P54132 1/20 1.00
▸ MCL1 Q07820 1/20 1.00
▸ PFKFB3 Q16875 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ PPARG P37231 1/20 0.63
▸ CYP1A1 P04798 3/20 0.63
▸ CYP1B1 Q16678 3/20 0.63

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
SCHEMBL29974497 1.00 KMT2A (1.00) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL28104733 0.88 KMT2A (0.78) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL27974348 0.87 MAPT (0.77) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL29974322 0.84 PPARG (0.81) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL27221221 0.84 PPARG (0.81) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL27955350 0.84 PKM (0.72) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL24840880 0.84 KMT2A (0.72) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL476215 0.84 CBS (0.78) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL29435853 0.84 CBS (0.78) KMT2APKMMAPTKDM4EAPEX1
SCHEMBL28986431 0.84 CBS (0.78) KMT2APKMMAPTKDM4EAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 — — US claimed
US-20240347160-A1 USE OF ARTIFICIAL INTELLIGENCE TO IDENTIFY NOVEL TARGETS AND METHODOLOGIES FOR SKIN CARE TREATMENT KENVUE BRANDS LLC 2024-10-17 — — US disclosed
US-12051491-B2 Use of artificial intelligence to identify novel targets and methodologies for skin care treatment JOHNSON & JOHNSON CONSUMER INC. (US) 2024-07-30 — — US disclosed
US-20230272061-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-08-31 — — US disclosed
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-01-19 — — US disclosed
US-20230000121-A1 APIGENIN GLYCOSIDES FLAVOR ENHANCERS OHIO STATE INNOVATION FOUNDATION 2023-01-05 — — US disclosed
WO-2022112439-A1 DIAGNOSTIC METHODS FOR INFLAMMATORY DISEASE ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2022-06-02 — — WO disclosed
EP-3928327-A1 USE OF ARTIFICIAL INTELLIGENCE TO IDENTIFY NOVEL TARGETS AND METHODOLOGIES FOR SKIN CARE TREATMENT Johnson & Johnson Consumer Inc. (US) 2021-12-29 — — EP disclosed
US-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) PROMETHEUS BIOSCIENCES, INC. (US) 2021-10-05 — — US disclosed
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2021-04-08 — — US disclosed
US-20210079473-A1 METHODS AND SYSTEMS FOR CHARACTERIZING SEVERE CROHN'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 — — US disclosed
US-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2020-11-19 — — US disclosed
US-20200265937-A1 USE OF ARTIFICIAL INTELLIGENCE TO IDENTIFY NOVEL TARGETS AND METHODOLOGIES FOR SKIN CARE TREATMENT KENVUE BRANDS LLC 2020-08-20 — — US disclosed
US-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 — — US disclosed
US-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 — — US disclosed
US-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 — — US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 — — US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 — — US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 — — US 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 (6 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-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 KMT2A 292/4885PKM 4866/4885MAPT 3856/4885
US-20230272061-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 KMT2A 292/4885PKM 4866/4885MAPT 3856/4885
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 KMT2A 292/4885PKM 4866/4885MAPT 3856/4885
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 KMT2A 292/4885PKM 4866/4885MAPT 3856/4885
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy PFKFB3, PFKFB2, PFKFB1 KMT2A 853/4885PKM 35/4885MAPT 1975/4885
US-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) LTA, TLL1, TNF KMT2A 1519/4885PKM 4870/4885MAPT 4121/4885

“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.

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