SCHEMBL148958

SCHEMBL148958

CC/C=C\CC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PTGS2 P35354 1/20 0.53
PDE4D Q08499 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.45
LMNA P02545 1/20 0.40
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL148959 1.00 NR1I2 (0.53) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL1171487 1.00 NR1I2 (0.53) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL16590579 0.94 ADORA3 (0.62) NR1I2PGRADORA3PTGS2PDE4D
Ethylene Glycol SCHEMBL28437396 0.94 NR1I2 (0.49) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL18203063 0.94 ADORA3 (0.62) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL17676485 0.94 ADORA3 (0.62) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6647774 0.93 GAA (0.57) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6708068 0.93 GAA (0.57) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL27579524 0.86 MGAM (0.46) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL13480702 0.86 MGAM (0.46) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117699936-B Fluorine removing agent for acid fluorine-containing wastewater and preparation method thereof 昆明傲凯通环境科技有限公司 2025-04-04 CN claimed
CN-117699936-A Fluorine removing agent for acid fluorine-containing wastewater and preparation method thereof 昆明傲凯通环境科技有限公司 2024-03-15 CN claimed
CN-116874350-A Process for preparing phyllitol by continuous reduction of unsaturated ester 福建桦智工程技术有限公司 2023-10-13 CN claimed
CN-117699936-B Fluorine removing agent for acid fluorine-containing wastewater and preparation method thereof 昆明傲凯通环境科技有限公司 2025-04-04 CN disclosed
CN-115702041-B Hydroformylation catalyst system with synthesis gas substitute V.马内菲尔斯 2025-03-18 CN disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
CN-118340252-A Mango flavor essence for improving mango meat feel and aroma 上海百润香精香料有限公司 2024-07-16 CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
CN-117699936-A Fluorine removing agent for acid fluorine-containing wastewater and preparation method thereof 昆明傲凯通环境科技有限公司 2024-03-15 CN disclosed
CN-116874350-A Process for preparing phyllitol by continuous reduction of unsaturated ester 福建桦智工程技术有限公司 2023-10-13 CN disclosed
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2023-10-10 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
US-9446161-B1 Fragrance compositions containing low vapor pressure VOC solvents TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-09-20 US disclosed
CN-104316635-A Method for rapidly identifying flavor and quality of fruits UNIV SHIHEZI 2015-01-28 CN disclosed
US-8603963-B1 Fragrance compositions containing low vapor pressure VOC solvents TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-10 US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
US-20120055075-A1 Insect Controlling Devices and Methods WINKLER CONSTANZE (DE) 2012-03-08 US disclosed
CN-102164509-A Agent for preventing degradation odor of amino acid, food or drink containing amino acid, and method for preventing degradation odor MEIJI DAIRIES CORP 2011-08-24 CN disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE NR1I2 277/4885PGR 2502/4885ADORA3 3086/4885
US-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 NR1I2 3388/4885PGR 4769/4885ADORA3 2392/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 NR1I2 1429/4885PGR 2815/4885ADORA3 666/4885
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis SREBF1, F2, SREBF2 NR1I2 538/4885PGR 671/4885ADORA3 3550/4885

“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.