SCHEMBL8807724

SCHEMBL8807724

COc1cc2oc(=O)c(C)c(C)c2cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B3 P37058 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
AKR1B1 P15121 2/20 0.51
CA7 P43166 2/20 0.51
MCL1 Q07820 2/20 0.51
CA9 Q16790 2/20 0.51
CA13 Q8N1Q1 2/20 0.51
NQO1 P15559 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL8810178 0.83 HSD17B3 (0.53) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL8745806 0.83 NQO1 (0.52) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL8745785 0.83 NQO1 (0.52) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL27617272 0.82 HSD17B3 (0.61) MAOBKDM4EALDH1A1HSD17B10HSD17B3
SCHEMBL8809004 0.82 ERAP1 (0.62) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL2552672 0.81 ALDH1A1 (0.52) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL13517935 0.80 KDM4E (0.54) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL8807762 0.79 KDM4E (0.70) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL19068971 0.78 NQO1 (0.50) MAOBKDM4EALDH1A1HSD17B10TP53
SCHEMBL2555284 0.78 NQO1 (0.50) MAOBKDM4EALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154967-B1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES JOHNSON MATTHEY PLC (GB) 2020-07-29 EP disclosed
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
EP-0584091-B1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1997-01-15 EP disclosed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US disclosed
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP disclosed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 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 (2 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-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 MAOB 961/4885KDM4E 1337/4885ALDH1A1 1383/4885
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 MAOB 961/4885KDM4E 1337/4885ALDH1A1 1383/4885

“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.