SCHEMBL16673166

SCHEMBL16673166

O=C(O)c1c(F)c(C(=O)O)c(F)c(C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
CYP1A2 P05177 1/20 0.40
HCAR2 Q8TDS4 4/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
JAK2 O60674 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA4 P22748 2/20 0.33
CES2 O00748 2/20 0.33

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
SCHEMBL336420 0.93 CES2 (0.42) KDM4EASPHKDM8CYP1A2HCAR2
SCHEMBL141037 0.92 CYP1A2 (0.40) KDM4EASPHKDM8CYP1A2HCAR2
SCHEMBL3020382 0.92 KDM4E (0.42) KDM4EASPHKDM8CYP1A2HCAR2
Hydrochloric Acid SCHEMBL6538272 0.90 CES2 (0.40) KDM4EASPHKDM8CYP1A2HCAR2
Hydrochloric Acid SCHEMBL7881769 0.90 CES2 (0.40) KDM4EASPHKDM8CYP1A2HCAR2
Hydrochloric Acid SCHEMBL4414501 0.89 CYP1A2 (0.38) KDM4EASPHKDM8CYP1A2HCAR2
SCHEMBL203915 0.89 CES2 (0.43) KDM4EASPHKDM8CYP1A2CA1
Fluoride SCHEMBL2393600 0.89 CYP1A2 (0.38) KDM4EASPHKDM8CYP1A2HCAR2
SCHEMBL28411845 0.89 CYP1A2 (0.38) KDM4EASPHKDM8CYP1A2HCAR2
Hydrochloric Acid SCHEMBL7881715 0.89 CYP1A2 (0.38) KDM4EASPHKDM8CYP1A2HCAR2

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-118108955-A Hydrophobic layer material and preparation method thereof, perovskite solar cell and preparation method thereof 旗滨新能源发展(深圳)有限责任公司 2024-05-31 CN claimed
CN-112838269-B Electrolyte solution, electrochemical device and electronic apparatus including the same 宁德新能源科技有限公司 2022-09-23 CN claimed
CN-118108955-A Hydrophobic layer material and preparation method thereof, perovskite solar cell and preparation method thereof 旗滨新能源发展(深圳)有限责任公司 2024-05-31 CN disclosed
EP-2868649-B1 METAL COMPLEX, AND ABSORBENT MATERIAL, STORAGE MATERIAL AND SEPARATION MATERIAL COMPRISING THE METAL COMPLEX KURARAY CO (JP) 2021-04-07 EP disclosed
CN-104411673-B Metal complex, and the sorbing material comprising metal complex, occluded material and separation material 株式会社可乐丽 2018-10-23 CN disclosed
US-9586170-B2 Metal complex, and adsorbent material, storage material and separation material comprising metal complex KURARAY CO., LTD. (JP) 2017-03-07 US disclosed
EP-2960227-A1 METHOD FOR PRODUCING METAL COMPLEX Kuraray Co., Ltd. (JP) 2015-12-30 EP disclosed
US-20150361102-A1 METHOD FOR PRODUCING METAL COMPLEX KURARAY CO., LTD. (JP) 2015-12-17 US disclosed
US-20150165415-A1 METAL COMPLEX, AND ABSORBENT, OCCLUSION MATERIAL AND SEPARATION MATERIAL PRODUCED THEREFROM KURARAY CO., LTD. (JP) 2015-06-18 US disclosed
US-20150144085-A1 METAL COMPLEX, AND ABSORBENT MATERIAL, STORAGE MATERIAL AND SEPARATION MATERIAL COMPRISING METAL COMPLEX KURARAY CO., LTD. (JP) 2015-05-28 US disclosed
EP-2871174-A1 METAL COMPLEX, AND ABSORBENT, OCCLUSION MATERIAL AND SEPARATION MATERIAL PRODUCED THEREFROM Kuraray Co., Ltd. (JP) 2015-05-13 EP disclosed
EP-2868649-A1 METAL COMPLEX, AND ABSORBENT, OCCLUSION MATERIAL AND SEPARATION MATERIAL PRODUCED THEREFROM Kuraray Co., Ltd. (JP) 2015-05-06 EP disclosed
CN-104583172-A Metal complex, and absorbent, occlusion material and separation material produced therefrom KURARAY CO 2015-04-29 CN disclosed
CN-104411673-A Metal complex, and absorbent, occlusion material and separation material produced therefrom KURARAY CO 2015-03-11 CN disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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 (1 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3515/4885ASPH 2445/4885KDM8 656/4885

“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.