SCHEMBL875650

SCHEMBL875650

O=Cc1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
POLB P06746 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
LTA4H P09960 1/20 0.49
KIF11 P52732 1/20 0.49
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK14 Q16539 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
MAPT P10636 2/20 0.43
TTBK1 Q5TCY1 1/20 0.43
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL29473603 1.00 ALDH1A1 (0.66) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL417140 0.89 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL27579381 0.86 LTA4H (0.59) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL12578080 0.85 POLB (0.60) ALDH1A1POLBL3MBTL1MAPT
SCHEMBL17521455 0.85 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1KIF11TLR8
SCHEMBL924185 0.84 ADAMTS5 (0.55) ALDH1A1POLBL3MBTL1KIF11NR3C1
SCHEMBL23244709 0.84 L3MBTL1 (0.51) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL9105483 0.84 L3MBTL1 (0.51) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL13970668 0.83 POLB (0.52) ALDH1A1POLBL3MBTL1LTA4HKIF11
SCHEMBL184377 0.83 PARP10 (0.50) ALDH1A1POLBL3MBTL1LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380817-B Benzimidazolo 2-amino-1, 3, 4-thiadiazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-06-21 CN disclosed
CN-114380817-A Benzimidazole 2-amino-1, 3, 4-thiadiazole compound and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-04-22 CN disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
EP-1406861-A1 SUBSTITUTED AROMATIC ETHERS AS INHIBITORS OF GLYCINE TRANSPORT Pfizer Products Inc. (US) 2004-04-14 EP disclosed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US disclosed
US-20030208081-A1 Substituted aromatic ethers as inhibitors of glycine transport PFIZER INC. 2003-11-06 US disclosed
US-6566550-B2 Such as (methyl-(3-phenyl-3(4-(3-trifluoromethylphenoxy) phenoxy)propyl)amino)acetic acid for treatment of mental disorders PFIZER INC 2003-05-20 US disclosed
US-20030013887-A1 Such as (methyl-(3-phenyl-3(4-(3-trifluoromethylphenoxy) phenoxy)propyl)amino)acetic acid for treatment of mental disorders PFIZER INC. 2003-01-16 US disclosed
WO-2003000646-A1 SUBSTITUTED AROMATIC ETHERS AS INHIBITORS OF GLYCINE TRANSPORT PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US disclosed
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 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 (5 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-20030013887-A1 Such as (methyl-(3-phenyl-3(4-(3-trifluoromethylphenoxy) phenoxy)propyl)amino)acetic acid for treatment of mental disorders SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1330/4885POLB 4283/4885L3MBTL1 2443/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885POLB 1644/4885L3MBTL1 3983/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885POLB 1385/4885L3MBTL1 3358/4885
US-20030208081-A1 Substituted aromatic ethers as inhibitors of glycine transport SLC1A2, SLC1A1, SLC6A1 ALDH1A1 2156/4885POLB 4491/4885L3MBTL1 2919/4885
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 ALDH1A1 3752/4885POLB 4439/4885L3MBTL1 3862/4885

“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.