SCHEMBL1787240

SCHEMBL1787240

CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
KDM4E B2RXH2 5/20 1.00
HSP90AA1 P07900 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.80
STAT1 P42224 1/20 0.80
HPGD P15428 3/20 0.72
TP53 P04637 3/20 0.72
POLB P06746 1/20 0.72
ALDH1A1 P00352 4/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TNKS O95271 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4399339 0.84 KDM4E (0.72) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL18885210 0.82 MAPT (0.71) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL706743 0.82 POLB (0.70) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL20339738 0.80 KDM4E (0.67) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL21143527 0.79 MAPT (0.68) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL20621396 0.79 MAPT (0.81) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL18920608 0.79 ALDH1A1 (0.83) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL18920553 0.79 KDM4E (0.65) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL12417204 0.79 MAPT (0.66) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL31358657 0.79 MAPT (0.65) MAPTNPC1RAB9AKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574070-B Synthesis method of substituted urea compound 西华大学 2022-11-08 CN disclosed
CN-112574070-A Synthesis method of substituted urea compound 西华大学 2021-03-30 CN disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
CN-103509009-A 2-substituted-5-phenyl furan compound, and preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2014-01-15 CN disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (11 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 MAPT 1920/4885NPC1 3467/4885RAB9A 1186/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 MAPT 1886/4885NPC1 4542/4885RAB9A 4092/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 MAPT 2072/4885NPC1 2933/4885RAB9A 3936/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 MAPT 4443/4885NPC1 2689/4885RAB9A 3965/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 MAPT 4052/4885NPC1 1376/4885RAB9A 4156/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 MAPT 4443/4885NPC1 2689/4885RAB9A 3965/4885
US-20140011862-A1 Compositions and Methods for Treating Leukemia MCL1, ABL1, FLT3 MAPT 4443/4885NPC1 2689/4885RAB9A 3965/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 MAPT 2881/4885NPC1 3112/4885RAB9A 2340/4885
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 MAPT 4821/4885NPC1 2602/4885RAB9A 510/4885
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM BRD3, BRD2, BRD4 MAPT 2993/4885NPC1 1443/4885RAB9A 2520/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 MAPT 2072/4885NPC1 2933/4885RAB9A 3936/4885

“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.