SCHEMBL611944

SCHEMBL611944

O=C(O)C1CC(O)C(O)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
CYP2C19 P33261 3/20 0.41
GABRR1 P24046 1/20 0.41
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 3/20 0.39
ALOX15 P16050 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TSHR P16473 2/20 0.38
PMP22 Q01453 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL14389448 1.00 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL14385404 1.00 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3227696 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3489123 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL21703887 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3057990 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3057992 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL19506522 0.84 GABRR1 (0.46) APLNRCYP2C19GABRR1CYP1A2ALOX15
SCHEMBL19506520 0.82 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL6943949 0.80 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109982724-A Deodorant agent 理研香料控股株式会社 2019-07-05 CN claimed
CN-1298279-A Utilization of natural and/or synthetic quinic acid and/or precursors thereof as insect repellents BIOCONNECTING TECH AG (CH) 2001-06-06 CN claimed
CN-107353201-B High-content natural shikimic acid extract and preparation method thereof 云南希康生物科技有限公司 2021-02-02 CN disclosed
CN-107034051-B One kind is containing amygdalate hair soap and preparation method thereof 北京联合大学 2019-11-15 CN disclosed
CN-110437070-A A kind of chlorogenic acid for preparing the method for high-purity chlorogenic acid as raw material comprehensive utilization using stevia rebaudian leaf and its being prepared ZHUCHENG HAOTIAN PHARM CO LTD 2019-11-12 CN disclosed
CN-108346493-B A method of by changing plasma resonance strength reduction nano-silver thread transparent conductive film yellowing 合肥微晶材料科技有限公司 2019-08-02 CN disclosed
CN-108346493-A A method of by changing plasma resonance strength reduction nano-silver thread transparent conductive film yellowing 合肥微晶材料科技有限公司 2018-07-31 CN disclosed
CN-108084044-A A kind of climbing groundsel derivative and its application in drug 湖南天济草堂制药股份有限公司 2018-05-29 CN disclosed
US-RE46698-E1 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-RE46698-E1 Use of cyclohexanol derivatives as antimicrobial active compounds MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
CN-106316830-A Method for separation and purification of shikimic acid from ginkgo biloba leaves 西南民族大学 2017-01-11 CN disclosed
WO-2009026176-A2 ANTIINFECTIVE FLAVONONOL COMPOUNDS AND METHODS OF USE THEREOF HERBALSCIENCE GROUP LLC (US) 2009-02-26 WO disclosed
CN-1978422-A Method for separating and purifying shikimic acid SHANGHAI MEDICINE INST CHINESE (CN) 2007-06-13 CN disclosed
EP-1762219-A1 PHOTOPROTECTIVE AND/OR PHOTOIMMUNOPROTECTIVE COMPOSITIONS FOR THE SKIN AND USES THEREOF Industrial Farmaceutica Cantabria, S.A. (ES) 2007-03-14 EP disclosed
US-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2007-02-01 US disclosed
CN-1298279-A Utilization of natural and/or synthetic quinic acid and/or precursors thereof as insect repellents BIOCONNECTING TECH AG (CH) 2001-06-06 CN disclosed
EP-1065926-A1 UTILIZATION OF NATURAL AND/OR SYNTHETIC QUINIC ACID AND/OR PRECURSORS THEREOF AS INSECT REPELLENTS Biolink Technologies AG (CH) 2001-01-10 EP disclosed
WO-1999048363-A1 UTILIZATION OF NATURAL AND/OR SYNTHETIC QUINIC ACID AND/OR PRECURSORS THEREOF AS INSECT REPELLENTS BIOLINK TECHNOLOGIES AG (CH) 1999-09-30 WO disclosed
US-5240835-A Reacting unsaturated ester with a polyol in presence of biocatalyst derived from Corynebacterium oxydans GENENCOR INTERNATIONAL, INC. (US) 1993-08-31 US disclosed
CN-85101563-A The quinate preparation method of antimalarial compound Mefloquine 1987-01-24 CN 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-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses ME1, ME2, SI APLNR 3048/4885CYP2C19 2205/4885GABRR1 4373/4885

“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.