SCHEMBL491853

SCHEMBL491853

COc1ccc(-c2cc(CC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
PPARD Q03181 3/20 0.58
RXRA P19793 3/20 0.57
RXRB P28702 2/20 0.57
RXRG P48443 2/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP12 P39900 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 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
SCHEMBL4217510 0.87 KDM4E (0.68) PTGS1AKR1C3AKR1C2RXRARXRB
SCHEMBL4201864 0.85 PTGS1 (0.58) PTGS1AKR1C3AKR1C2PPARDCYP11B1
SCHEMBL3569849 0.83 PPARD (0.56) PPARDRXRARXRBRXRGSMN1; SMN2
SCHEMBL29087697 0.83 CYP11B1 (0.80) PTGS1AKR1C3AKR1C2PPARDRXRA
SCHEMBL30646825 0.83 CYP11B1 (0.80) PTGS1AKR1C3AKR1C2PPARDRXRA
SCHEMBL677776 0.83 RXRA (0.58) PTGS1AKR1C3AKR1C2PPARDRXRA
SCHEMBL240822 0.81 KDM4E (0.74) PTGS1AKR1C3AKR1C2KDM4EPOLB
SCHEMBL491794 0.80 RXRA (0.53) PTGS1AKR1C2PPARDRXRARXRB
Hydrochloric Acid SCHEMBL2022863 0.80 KDM4E (0.72) PTGS1AKR1C3AKR1C2KDM4EPOLB
Hydrogen Sulfide SCHEMBL29062416 0.80 KDM4E (0.72) PTGS1AKR1C3AKR1C2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP claimed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US claimed
EP-1847524-B1 Terphenyl derivatives for treatment of Alzheimer's disease CELLZOME LTD (GB) 2009-10-14 EP claimed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US claimed
EP-1847524-A1 Terphenyl derivatives for treatment of Alzheimer's disease Cellzome (UK) Ltd. (GB) 2007-10-24 EP claimed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
EP-1847524-B1 Terphenyl derivatives for treatment of Alzheimer's disease CELLZOME LTD (GB) 2009-10-14 EP disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
EP-1847524-A1 Terphenyl derivatives for treatment of Alzheimer's disease Cellzome (UK) Ltd. (GB) 2007-10-24 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 (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-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP PTGS1 3643/4885AKR1C3 609/4885AKR1C2 1075/4885

“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.