SCHEMBL3331503

SCHEMBL3331503

COCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.57
PTGS1 P23219 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TBXAS1 P24557 1/20 0.51
LTB4R Q15722 4/20 0.51
LTB4R2 Q9NPC1 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL11683055 0.91 PLA2G4B (0.61) PLA2G4BPTGS1KDM4ELMNAALDH1A1
SCHEMBL1586362 0.88 PLA2G4B (0.50) PLA2G4BPTGS1AKR1C3AKR1C2KDM4E
SCHEMBL874241 0.86 POLB (0.54) KDM4EPOLBLMNAALDH1A1L3MBTL1
SCHEMBL7339995 0.85 PLA2G4B (0.62) PLA2G4BPTGS1LMNAALDH1A1LTB4R
SCHEMBL11684213 0.85 PLA2G4B (0.69) PLA2G4BKDM4ELMNAALDH1A1TBXAS1
SCHEMBL10076458 0.84 KDM4E (0.47) PLA2G4BKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL17508211 0.84 TBXAS1 (0.52) KDM4ELMNATBXAS1CYP1A2CYP2D6
SCHEMBL10076459 0.84 ALDH1A1 (0.55) KDM4ELMNAALDH1A1CYP1A2CYP2D6
SCHEMBL1443020 0.84 LMNA (0.70) PLA2G4BKDM4ELMNAALDH1A1TBXAS1
SCHEMBL1285778 0.84 PLA2G4B (0.77) PLA2G4BKDM4ELMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496658-B Crystalline amorphous hybrid zinc oxide nanoparticle ink, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2024-07-02 CN claimed
CN-116496658-A Crystalline amorphous hybrid zinc oxide nanoparticle ink, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2023-07-28 CN claimed
CN-116496658-B Crystalline amorphous hybrid zinc oxide nanoparticle ink, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2024-07-02 CN disclosed
CN-116496658-A Crystalline amorphous hybrid zinc oxide nanoparticle ink, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2023-07-28 CN disclosed
CN-108863850-B Biaryl compound and preparation method and application thereof 复旦大学 2021-05-18 CN disclosed
US-10844017-B2 Biaryl compound, preparation method and use thereof FUDAN UNIVERSITY (CN) 2020-11-24 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 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 (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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 PLA2G4B 556/4885PTGS1 853/4885AKR1C3 4225/4885
US-10844017-B2 Biaryl compound, preparation method and use thereof RORC, RORB, RORA PLA2G4B 3725/4885PTGS1 2527/4885AKR1C3 297/4885

“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.