SCHEMBL1023355

SCHEMBL1023355

O=c1occc2cc(O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.52
PDE2A O00408 1/20 0.43
HSD17B3 P37058 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
PKLR P30613 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA12 O43570 1/20 0.40
MCL1 Q07820 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ESR1 P03372 2/20 0.40
MAOA P21397 2/20 0.40
ESR2 Q92731 2/20 0.40
MEN1 O00255 1/20 0.40
MGAM O43451 1/20 0.40

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
SCHEMBL30819802 0.76 MAOA (0.44) FTOKDM4EALDH1A1POLBKMT2A
SCHEMBL2729817 0.76 ERN1 (0.40) CA12CA9ALDH1A1MAOAESR2
SCHEMBL13129308 0.76 CYP1A2 (0.44) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL1023672 0.72 KDM4E (0.56) CA12CA9KDM4EALDH1A1POLB
SCHEMBL10083228 0.72 CYP19A1 (0.33) ALDH1A1POLBKMT2AESR1MAOA
SCHEMBL30819828 0.71 FTO (0.50) FTOPDE2ACA12MCL1CA9
SCHEMBL8133413 0.71 FTO (0.50) FTOPDE2ACA12MCL1CA9
SCHEMBL2732131 0.71 CHRM2 (0.33) ALDH1A1POLBKMT2AESR1MAOA
SCHEMBL1533447 0.70 CYP1A2 (0.57) KDM4EALDH1A1POLBKMT2ALMNA
Isocoumarin SCHEMBL76183 0.70 PTGES (0.47) FTONPSR1MCL1CA9KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188273-B1 SUBSTITUTED TETRA HYDRO NAPHTHALINES, METHOD FOR THEIR MANUFACTURE AND THEIR USE AS DRUGS SANOFI SA (FR) 2014-10-22 EP disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
US-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI (FR) 2014-03-27 US disclosed
US-8609731-B2 Substituted tetrahydronaphthalenes, process for the preparation thereof and the use thereof as medicaments SANOFI (FR) 2013-12-17 US disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2188273-A2 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS Sanofi-Aventis (FR) 2010-05-26 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
WO-2009021740-A2 SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFIS-AVENTIS (FR) 2009-02-19 WO disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
EP-1987006-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093366-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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 (4 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-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 FTO 2008/4885PDE2A 3454/4885HSD17B3 558/4885
US-20100249097-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 FTO 2008/4885PDE2A 3454/4885HSD17B3 558/4885
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 FTO 731/4885PDE2A 1556/4885HSD17B3 1187/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 FTO 771/4885PDE2A 237/4885HSD17B3 1717/4885

“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.