SCHEMBL790171

SCHEMBL790171

COc1cc(C(=O)CC(C)O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
HTT P42858 1/20 0.60
HSD17B2 P37059 1/20 0.56
BLM P54132 2/20 0.55
CYP1A2 P05177 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALOX5 P09917 1/20 0.53
NFKB1 P19838 1/20 0.53
STAT3 P40763 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL17394788 0.90 SLC22A6 (0.62) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL28224425 0.87 PDE4B (0.55) MEN1KMT2AGAA
SCHEMBL28223820 0.84 ALDH1A1 (0.53) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL3276465 0.83 MEN1 (0.57) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL1491848 0.81 MEN1 (0.68) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL1396833 0.81 MEN1 (0.68) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL6553082 0.81 MEN1 (0.62) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL7433907 0.80 MEN1 (0.66) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL28052189 0.80 MEN1 (0.66) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL16360980 0.80 MEN1 (0.66) SLC22A6SLC22A8MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN claimed
CN-115279206-A Flavor composition 弗门尼舍有限公司 2022-11-01 CN disclosed
US-20220127217-A1 METHODS OF DEPOLYMERIZING LIGNIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-04-28 US disclosed
CN-108135859-B Packaging method 罗地亚经营管理公司 2021-08-10 CN disclosed
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN disclosed
WO-2015119277-A1 PRODUCTION METHOD FOR 1-(4-HYDROXY-3-METHOXYPHENYL)-1,3-PROPANEDIOL 国立研究開発法人海洋研究開発機構 2015-08-13 WO disclosed
US-9060945-B2 Use of danielone and derivatives thereof in skin care DSM IP ASSETS B.V. (NL) 2015-06-23 US disclosed
US-20150004108-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE DSM IP ASSETS B.V. (NL) 2015-01-01 US disclosed
CN-104039301-A Use of danielone and derivatives thereof in skin care DSM IP ASSETS BV 2014-09-10 CN disclosed
EP-2616481-A2 BIOPRODUCTION OF AROMATIC CHEMICALS FROM LIGNIN-DERIVED COMPOUNDS Aligna Technologies, Inc. (US) 2013-07-24 EP disclosed
WO-2013104526-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE DSM IP ASSETS B.V. (NL) 2013-07-18 WO disclosed
US-20130143304-A9 LIGF-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2013-06-06 US disclosed
US-20120202257-A1 LIGE-TYPE ENZYMES FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20120202272-A1 LIGE-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC 2012-08-09 US disclosed
US-20120202258-A1 LIGE-TYPE TRANSFORMANTS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20120196335-A1 LIGF-TYPE TRANSFORMANTS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-02 US disclosed
US-20120196353-A1 LIGF-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS CHATTERJEE RANJINI (US) 2012-08-02 US disclosed
US-20120196334-A1 LIGF-TYPE ENZYMES FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-02 US disclosed
WO-2012036884-A2 BIOPRODUCTION OF AROMATIC CHEMICALS FROM LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. (US) 2012-03-22 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 (1 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-20150004108-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE TYR, MITF, MC1R SLC22A6 2238/4885SLC22A8 3538/4885MEN1 4325/4885

“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.