SCHEMBL1587344

SCHEMBL1587344

CC(C)=CCc1cc(C=O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.66
AKR1B1 P15121 2/20 0.66
AKR1C3 P42330 2/20 0.66
PTGS2 P35354 3/20 0.65
PTGS1 P23219 2/20 0.65
HTT P42858 3/20 0.61
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
PTPN1 P18031 5/20 0.56
GOT1 P17174 2/20 0.54
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL8011251 0.87 PPARG (0.63) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL12660191 0.86 AKR1C3 (0.50) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL9958704 0.86 AKR1C3 (0.49) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL8009546 0.85 PPARG (0.62) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL8011239 0.85 PPARG (0.62) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL30199523 0.80 AKR1B10 (0.63) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
Drupanin SCHEMBL3680290 0.80 AKR1C3 (1.00) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
Drupanin SCHEMBL5144749 0.80 AKR1C3 (1.00) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL5607630 0.80 PTGS2 (0.59) AKR1B10AKR1B1AKR1C3PTGS2PTGS1
SCHEMBL29954180 0.80 PTGS2 (0.59) AKR1B10AKR1B1AKR1C3PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN claimed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN claimed
WO-2001001977-A1 METHODS FOR CONTROLLING FUNGAL PATHOGENS SUMMUS GROUP LTD. (US) 2001-01-11 WO claimed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN disclosed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN disclosed
CN-114456053-B Benzaldehyde compound produced by marine fungi, preparation method and anti-inflammatory application thereof 广东海洋大学 2023-12-01 CN disclosed
CN-114456053-A Benzaldehyde compound produced by marine fungi, preparation method and anti-inflammatory application thereof 广东海洋大学 2022-05-10 CN disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2011-04-21 US disclosed
EP-2254855-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-12-01 EP disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
WO-2009098287-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2009-08-13 WO disclosed
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 EP 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 (2 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-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF NRAS, FAU, DPYD AKR1B10 1141/4885AKR1B1 1400/4885AKR1C3 1585/4885
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PSEN1, PARK7, APP AKR1B10 1870/4885AKR1B1 2018/4885AKR1C3 1329/4885

“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.