SCHEMBL4988941

SCHEMBL4988941

CCOC(=O)c1cc(=O)c2cc(O)cc(Br)c2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.57
MAOB P27338 3/20 0.50
GPR35 Q9HC97 1/20 0.46
SLC2A1 P11166 1/20 0.44
MAPK1 P28482 1/20 0.43
THRB P10828 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4992710 0.88 AKR1B1 (0.52) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL4983007 0.86 GPR35 (0.58) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL4982790 0.86 MAOB (0.62) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL4253257 0.86 GPR35 (0.55) AKR1B1MAOBGPR35SLC2A1THRB
SCHEMBL4988603 0.85 GPR35 (0.49) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL21230503 0.82 MAOB (0.51) AKR1B1MAOBCA12CA1CA2
SCHEMBL4991500 0.82 AKR1B1 (0.54) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL27584397 0.79 GPR35 (0.57) AKR1B1GPR35
SCHEMBL10506044 0.76 AKR1B1 (0.53) AKR1B1MAOBGPR35SLC2A1MAPK1
SCHEMBL22617125 0.76 MAOB (0.66) AKR1B1MAOBGPR35SLC2A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 US disclosed
US-20060019947-A1 Therapeutic chromone compounds CHAPDELAINE MARC 2006-01-26 US disclosed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US disclosed
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders ASTRAZENECA AB (SE) 2005-05-05 US disclosed
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties ASTRAZENECA AB (SE) 2005-04-21 US disclosed
US-20050009818-A1 Therapeutic heterocyclic compounds PIERSON EDWARD (US) 2005-01-13 US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 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 (9 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D AKR1B1 1990/4885MAOB 27/4885GPR35 113/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A AKR1B1 2039/4885MAOB 37/4885GPR35 326/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D AKR1B1 2018/4885MAOB 45/4885GPR35 298/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A AKR1B1 1076/4885MAOB 21/4885GPR35 214/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A AKR1B1 1076/4885MAOB 21/4885GPR35 214/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B AKR1B1 1172/4885MAOB 27/4885GPR35 251/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B AKR1B1 1091/4885MAOB 25/4885GPR35 204/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A AKR1B1 778/4885MAOB 15/4885GPR35 696/4885
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders HTR1D, HTR1B, HTR1A AKR1B1 1145/4885MAOB 80/4885GPR35 160/4885

“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.