SCHEMBL364562

SCHEMBL364562

COC1C(=O)c2ccccc2OC1(N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 1/20 0.44
CYP19A1 P11511 6/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 2/20 0.33
GLA P06280 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL3221182 0.80 CYP3A4 (0.44) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL28140395 0.69 CYP3A4 (0.47) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL6239972 0.68 CYP19A1 (0.42) CYP3A4ALOX15CYP19A1CYP2C9MAPT
SCHEMBL27677963 0.67 CYP3A4 (0.42) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL14957411 0.66 CFTR (0.43) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL27866152 0.65 CYP3A4 (0.46) CYP3A4ALOX15CYP19A1CYP2C9TP53
SCHEMBL29130441 0.64 CASP6 (0.45) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL3289417 0.64 CYP3A4 (0.42) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL8756989 0.64 CYP19A1 (0.41) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL28459231 0.63 SMN1; SMN2 (0.46) CYP3A4ALOX15SMN1; SMN2CYP2C9GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022305-A1 A HUMULUS PLANT VARIANT AND EXTRACTS THEREOF BOMI, LLC 2021-01-28 US disclosed
EP-3765000-A1 A HUMULUS PLANT VARIANT AND EXTRACTS THEREOF BOMI, LLC (US) 2021-01-20 EP disclosed
WO-2019178103-A1 A HUMULUS PLANT VARIANT AND EXTRACTS THEREOF Bomi LLC (US) 2019-09-19 WO disclosed
WO-2012007725-A2 METHOD OF REPROGRAMMING A CELL PLASTICELL LTD (GB) 2012-01-19 WO disclosed
US-7749962-B2 Alpha 5 beta 1 and its ability to regulate the cell survival pathway UNIVERSITY OF MEDICINE & DENTISTRY OF NJ (US) 2010-07-06 US disclosed
EP-1827445-A2 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2007-09-05 EP disclosed
EP-1539247-A4 ALPHA 5 BETA 1 AND ITS ABILITY TO REGULATE THE CELL SURVIVAL PATHWAY UNIV NEW JERSEY MED (US) 2007-08-29 EP disclosed
WO-2007040565-A9 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2007-07-05 WO disclosed
WO-2007040565-A2 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2007-04-12 WO disclosed
EP-1420778-B1 USE OF MEK INHIBITORS FOR TREATING VIRUS INDUCED HEMORRHAGIC SHOCK OR FEVER BEVEC DORIAN (DE) 2006-11-22 EP disclosed
EP-1539247-A2 ALPHA 5 BETA 1 AND ITS ABILITY TO REGULATE THE CELL SURVIVAL PATHWAY UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2005-06-15 EP disclosed
US-20050119289-A1 Enhancing treatment of MDR cancer with adenosine A3 antagonists KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2005-06-02 US disclosed
EP-1515719-A2 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2005-03-23 EP disclosed
WO-2004043340-A2 ALPHA 5 BETA 1 AND ITS ABILITY TO REGULATE THE CELL SURVIVAL PATHWAY UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-05-27 WO disclosed
US-20040067932-A1 Enhancing treatment of MDR cancer with adenosine A3 antagonists CREDIT SUISSE AG 2004-04-08 US disclosed
WO-2004000237-A2 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2003-12-31 WO disclosed
WO-2004000224-A2 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2003-12-31 WO disclosed
EP-1259232-A1 METHOD FOR IDENTIFYING AN AGENT FOR TREATMENT OF NIDDMDIABETES BY INTERACTION WITH COMPOUND U0126 BIOVITRUM AB (SE) 2002-11-27 EP disclosed
WO-2001064209-A1 METHOD FOR IDENTIFYING AN AGENT FOR TREATMENT OF NIDDMDIABETES BY INTERACTION WITH COMPOUND U0126 BIOVITRUM AB (SE) 2001-09-07 WO disclosed
US-20010019832-A1 Methods for identification using U0126 BIOVITRUM AB (SE) 2001-09-06 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 (3 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-20040067932-A1 Enhancing treatment of MDR cancer with adenosine A3 antagonists ADORA3, ADORA2A, ABCC3 CYP3A4 1576/4885ALOX15 4294/4885CYP19A1 2877/4885
US-20210022305-A1 A HUMULUS PLANT VARIANT AND EXTRACTS THEREOF CNR2, CNR1, FAAH CYP3A4 233/4885ALOX15 131/4885CYP19A1 372/4885
US-20050119289-A1 Enhancing treatment of MDR cancer with adenosine A3 antagonists ADORA3, ADORA2A, ABCB1 CYP3A4 1524/4885ALOX15 4391/4885CYP19A1 2753/4885

“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.