SCHEMBL291001

SCHEMBL291001

CC(C(=O)O)c1cc(O)cc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.47
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45
APP P05067 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 10/20 0.44
CXCR1 P25024 4/20 0.44
CXCR2 P25025 4/20 0.44
LMNA P02545 3/20 0.44
SLC22A6 Q4U2R8 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PMP22 Q01453 2/20 0.44
CXCL8 P10145 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL15506106 1.00 PTGS2 (0.47) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL15506197 1.00 PTGS2 (0.47) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL24628718 0.86 PTGS2 (0.40) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL27655291 0.83 CA12 (0.43) CYP2C9CYP3A4LMNASMN1; SMN2KDM4E
SCHEMBL23198285 0.82 AKR1C3 (0.54) PTGS2CYP3A4APPCYP2C19PTGS1
SCHEMBL585616 0.81 AKR1C3 (0.48) CYP2C9CYP3A4APPCYP2C19AKR1C3
SCHEMBL490872 0.79 AKR1B1 (0.47) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL490681 0.79 PTGS1 (0.61) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL3858080 0.79 PTGS1 (0.61) PTGS2CYP2C9CYP3A4APPCYP2C19
SCHEMBL1741372 0.77 PTGS2 (0.44) PTGS2CYP2C9CYP3A4PTGS1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN disclosed
US-11964956-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2024-04-23 US disclosed
CN-117843276-A Multi-component composite steel slag grinding-aid excitant and preparation method thereof 华新水泥股份有限公司 2024-04-09 CN disclosed
US-20230371552-A1 Pet Food Compositions HILL'S PET NUTRITION, INC. (US) 2023-11-23 US disclosed
CN-113969251-B Streptococcus bus and application thereof in biosynthesis of catechin derivatives 华中农业大学 2023-05-02 CN disclosed
CN-113969251-A Streptococcus basalis and application thereof in biosynthesis of catechin derivatives 华中农业大学 2022-01-25 CN disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
EP-1027155-A1 METAL COMPLEXES SUITABLE FOR ATTACHMENT TO A SUPPORT AND SUPPORTED METAL COMPLEXES The University Court of The University of St Andrews (GB) 2000-08-16 EP disclosed
WO-2000006298-A1 METAL COMPLEXES SUITABLE FOR ATTACHMENT TO A SUPPORT AND SUPPORTED METAL COMPLEXES THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2000-02-10 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 (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-11964956-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 PTGS2 629/4885CYP2C9 1287/4885CYP3A4 1526/4885
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT PTGS2 320/4885CYP2C9 326/4885CYP3A4 392/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 PTGS2 629/4885CYP2C9 1287/4885CYP3A4 1526/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 PTGS2 629/4885CYP2C9 1287/4885CYP3A4 1526/4885

“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.