SCHEMBL1126802

SCHEMBL1126802

c1ccc(-c2ccoc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CDK8 P49336 1/20 0.45
ADORA2A P29274 3/20 0.44
CTRC Q99895 1/20 0.44
ADORA1 P30542 1/20 0.44
IMPDH2 P12268 2/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
TTK P33981 1/20 0.43
CNR2 P34972 1/20 0.43
FYN P06241 1/20 0.42
PIM1 P11309 1/20 0.41
MEN1 O00255 3/20 0.41
CYP2D6 P10635 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5781692 0.97 CTRC (0.48) ALDH1A1CDK8ADORA2ACTRCADORA1
Methyl Alcohol SCHEMBL8745831 0.93 LPL (0.44) ALDH1A1CDK8ADORA2ACTRCADORA1
SCHEMBL571400 0.92
SCHEMBL28219578 0.89 LPL (0.44) CDK8ADORA2AADORA1IMPDH2LPL
SCHEMBL1772039 0.85 LPL (0.54) ALDH1A1IMPDH2LPLLIPGCYP2D6
SCHEMBL7191487 0.85 LPL (0.46) ALDH1A1ADORA2AIMPDH2LPLLIPG
Formaldehyde SCHEMBL27554885 0.84 CNR1 (0.42) CDK8CTRCIMPDH2LPLLIPG
SCHEMBL5781695 0.82 IMPDH2 (0.48) ALDH1A1CDK8ADORA2AADORA1IMPDH2
SCHEMBL1794873 0.82 CNR1 (0.41) CDK8IMPDH2LPLLIPGCNR2
Acetic Acid SCHEMBL28427938 0.82 CNR1 (0.45) ADORA2ALPLLIPGCNR2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122057767-A Composite material based on other garbage and method for manufacturing regenerated products by composite material 新疆联禾环境科技有限公司 2026-05-19 CN claimed
CN-117304148-A 3, 4-disubstituted gamma-butyrolactone derivative, preparation method thereof and application of 3, 4-disubstituted gamma-butyrolactone derivative in preparation of antitumor drugs 烟台大学 2023-12-29 CN claimed
EP-4287847-A1 METABOLICALLY MODIFIED VANILLA BEANS AND METHODS FOR PRODUCING SAME Vanilla Technologies Ltd. (IL) 2023-12-13 EP claimed
CN-117062541-A Metabolically modified vanilla beans and method for producing same 香草技术有限公司 2023-11-14 CN claimed
CN-113956246-B 3-phenyl furan-containing 2-phenyl-4H-benzo [1,3] oxazine derivative and preparation and application thereof 中山大学 2023-09-22 CN claimed
CN-114044773-B Application of 3-phenyl furan substituted 2-phenyl-4H-benzo [1,3] oxazine derivative 深圳大学 2022-09-06 CN claimed
WO-2022168076-A1 METABOLICALLY MODIFIED VANILLA BEANS AND METHODS FOR PRODUCING SAME VANILLA TECHNOLOGIES LTD. (IL) 2022-08-11 WO claimed
US-11352450-B2 Photopolymerization sensitizer composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-06-07 US claimed
CN-114044773-A Application of 3-phenyl furan substituted 2-phenyl-4H-benzo [1,3] oxazine derivative 深圳大学 2022-02-15 CN claimed
CN-113956246-A 2-phenyl-4H-benzo [1,3] oxazine derivative containing 3-phenyl furan and preparation and application thereof 中山大学 2022-01-21 CN claimed
US-11219232-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2022-01-11 US claimed
US-20210079127-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-03-18 US claimed
WO-2020210428-A1 NOVEL INHIBITORS OF FLAVIVIRUS PROTEASE FOR PREVENTION AND TREATMENT OF ZIKA, DENGUE AND OTHER FLAVIVIRUS INFECTIONS BAYLOR COLLEGE OF MEDICINE (US) 2020-10-15 WO claimed
US-10327464-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2019-06-25 US claimed
US-10314325-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2019-06-11 US claimed
EP-2788496-B1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND MEON MEDICAL SOLUTIONS GMBH & CO KG (AT) 2017-09-27 EP claimed
US-9657326-B2 Method of diagnosing pneumonia by detecting a volatile organic compound MEON MEDICAL SOLUTIONS GMBH & CO. KG (AT) 2017-05-23 US claimed
US-20140336080-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND MEON Medical Solutions GmbH & Co.KG (AT) 2014-11-13 US claimed
EP-2788496-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND Meon Medical Solutions GmbH & Co. KG (AT) 2014-10-15 EP claimed
WO-2013083518-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND MEON MEDICAL SOLUTIONS GMBH & COKG (AT) 2013-06-13 WO claimed