SCHEMBL491352

SCHEMBL491352

O=C(O)Cc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.55
RXRG P48443 8/20 0.55
RXRB P28702 7/20 0.55
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
ABCC4 O15439 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
PPARG P37231 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44

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
SCHEMBL538299 0.86 LMNA (0.69) RXRARXRGRXRBLMNAHTT
Methane SCHEMBL10453233 0.84 LMNA (0.67) RXRARXRGRXRBLMNAHTT
SCHEMBL5269627 0.84 GRIN2D (0.57) LMNAHTTABCC4GAATSHR
SCHEMBL12126599 0.81 LMNA (0.75) RXRARXRGRXRBLMNAHTT
SCHEMBL24499977 0.81 CYP11B2 (0.57) RXRARXRGRXRBLMNAHTT
SCHEMBL30530575 0.81 CYP11B2 (0.57) RXRARXRGRXRBLMNAHTT
SCHEMBL30767774 0.81 RXRA (0.56) RXRARXRGRXRBLMNAHTT
SCHEMBL491794 0.81 RXRA (0.53) RXRARXRGRXRBLMNAHTT
SCHEMBL4214449 0.81 RXRA (0.73) RXRARXRGRXRBLMNAHTT
SCHEMBL491539 0.81 ABCC4 (0.52) RXRARXRGRXRBLMNAHTT

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
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-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 US disclosed
US-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 US disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US 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 (3 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-10836706-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 RXRA 3651/4885RXRG 2991/4885RXRB 3206/4885
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 RXRA 3651/4885RXRG 2991/4885RXRB 3206/4885
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP RXRA 1179/4885RXRG 1200/4885RXRB 1173/4885

“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.