SCHEMBL1246800

SCHEMBL1246800

O=Cc1cccc(CCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
UNG P13051 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TBXA2R P21731 1/20 0.41
FFAR1 O14842 1/20 0.40
CDK1 P06493 1/20 0.40
SRC P12931 1/20 0.39
PLAU P00749 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL22098249 0.95 CYP4F2 (0.50) CYP4F2CYP4A11MAOAMAOBUNG
SCHEMBL2140044 0.89 CYP4F2 (0.53) CYP4F2CYP4A11MAOAMAOBUNG
SCHEMBL32066891 0.89 CYP4F2 (0.53) CYP4F2CYP4A11MAOAMAOBUNG
SCHEMBL8205516 0.82 ALDH1A1 (0.59) CYP4F2CYP4A11MAOAMAOBALDH1A1
SCHEMBL23648072 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1TBXA2RPLAU
SCHEMBL3032724 0.81 HDAC4 (0.47) MAOAMAOBALDH1A1
SCHEMBL10490702 0.81 MAOA (0.47) MAOAMAOBUNGALDH1A1FFAR1
SCHEMBL27799506 0.81 MAOA (0.44) CYP4F2CYP4A11MAOAMAOBUNG
SCHEMBL9480031 0.81 MAOA (0.51) MAOAMAOBUNGALDH1A1FFAR1
SCHEMBL9559961 0.81 MAOA (0.51) MAOAMAOBUNGALDH1A1FFAR1

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-8563784-B2 Catalytic method of manufacture of compounds of the diol type RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2013-10-22 US claimed
US-20110313204-A1 CATALYTIC METHOD OF MANUFACTURE OF COMPOUNDS OF THE DIOL TYPE RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2011-12-22 US claimed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-8563784-B2 Catalytic method of manufacture of compounds of the diol type RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2013-10-22 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
CN-102625808-A Spirocyclic amide derivatives ASTRAZENECA AB 2012-08-01 CN disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110313204-A1 CATALYTIC METHOD OF MANUFACTURE OF COMPOUNDS OF THE DIOL TYPE RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2011-12-22 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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 (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-20110313204-A1 CATALYTIC METHOD OF MANUFACTURE OF COMPOUNDS OF THE DIOL TYPE ADH1C, ADH1A, AGL CYP4F2 304/4885CYP4A11 129/4885MAOA 222/4885
US-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP4F2 874/4885CYP4A11 252/4885MAOA 560/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP4F2 874/4885CYP4A11 252/4885MAOA 560/4885

“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.