SCHEMBL4530776

SCHEMBL4530776

O=c1c(-c2cccc3ccccc23)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.59
PLK3 Q9H4B4 1/20 0.59
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 5/20 0.55
CYP3A4 P08684 5/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
LMNA P02545 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
DDR2 Q16832 1/20 0.55
CA12 O43570 1/20 0.55
TP53 P04637 1/20 0.55
ABCB1 P08183 1/20 0.55
CALM1 P0DP23 1/20 0.55
AR P10275 1/20 0.55
PKM P14618 1/20 0.55
CYP1B1 Q16678 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL6976311 0.85 PTGS2 (0.61) NTRK1PLK3CA1CA2LMNA
SCHEMBL29349443 0.84 KMT2A (0.69) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL693914 0.84 KMT2A (0.69) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL28162855 0.82 KMT2A (0.67) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL28847414 0.82 KMT2A (0.67) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL31717956 0.82 KMT2A (0.67) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL7703075 0.82 PLA2G2A (0.73) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL2331449 0.82 ADORA3 (0.63) NTRK1PLK3KMT2AMEN1KDM4E
SCHEMBL25012774 0.81 PTGS2 (0.44) KMT2AMEN1KDM4ECYP3A4CA1
SCHEMBL17751079 0.81 PTGS2 (0.44) KMT2AMEN1KDM4ECYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994023715-A1 USE OF FLAVONOIDS TO TREAT MULTIDRUG RESISTANT CANCER CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-27 WO claimed
US-20230190720-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS KAHRS, Bjoern Colin (CH) 2023-06-22 US disclosed
US-11628132-B2 Minoxidil adjuvant therapies Jupiter Wellness, Inc. (US) 2023-04-18 US disclosed
CN-115850292-A Novel C-4 substituted coumarin compounds and preparation method and application thereof 昆明医科大学 2023-03-28 CN disclosed
CN-114751912-B Application of isopentenyl substituted bisphenylpyridone compound 昆明医科大学 2023-03-07 CN disclosed
CN-114751912-A New application of isopentenyl substituted bisphenylpyridone compound 昆明医科大学 2022-07-15 CN disclosed
CN-113785937-A Preparation method of glutinous rice flour with low glycemic index and product thereof 江苏科技大学 2021-12-14 CN disclosed
CN-113785937-A Preparation method of glutinous rice flour with low glycemic index and product thereof 江苏科技大学 2021-12-14 CN disclosed
CN-112409368-B C-4 substituted coumarin compounds and preparation method and application thereof 昆明医科大学 2021-10-01 CN disclosed
CN-112409368-A C-4 substituted coumarin compounds and preparation method and application thereof 昆明医科大学 2021-02-26 CN disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
WO-2005049002-A1 MATERIALS AND METHODS FOR IMPROVING ALCOHOL METABOLISM AND ALLEVIATING THE EFFECTS OF HANGOVERS OMEGA BIO-PHARMA INTERNATIONAL LTD. (US) 2005-06-02 WO disclosed
EP-1024958-A1 MANUFACTURE OF LITHOGRAPHIC PRINTING FORMS HORSELL GRAPHIC INDUSTRIES LIMITED (GB) 2000-08-09 EP disclosed
EP-1024963-A1 PATTERN FORMATION Kodak Polychrome Graphics Company Ltd. (US) 2000-08-09 EP disclosed
WO-1999021725-A1 PATTERN FORMATION KODAK POLYCHROME GRAPHICS COMPANY LTD (US) 1999-05-06 WO disclosed
WO-1999021715-A1 MANUFACTURE OF LITHOGRAPHIC PRINTING FORMS KODAK POLYCHROME GRAPHICS COMPANY LTD. (US) 1999-05-06 WO disclosed
EP-0680517-A1 METHODS AND DIAGNOSTIC KITS UTILIZING MAMMALIAN STRESS PROMOTERS TO DETERMINE TOXICITY OF A COMPOUND PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1995-11-08 EP disclosed
WO-1994023715-A1 USE OF FLAVONOIDS TO TREAT MULTIDRUG RESISTANT CANCER CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-27 WO disclosed
US-5336685-A Use of flavonoids to treat multidrug resistant cancer cells SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-08-09 US disclosed
WO-1994017208-A1 METHODS AND DIAGNOSTIC KITS UTILIZING MAMMALIAN STRESS PROMOTERS TO DETERMINE TOXICITY OF A COMPOUND PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1994-08-04 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 (1 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-20230190720-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS PPARG, PPARA, PPARD NTRK1 3637/4885PLK3 1119/4885KMT2A 912/4885

“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.