SCHEMBL3529322

SCHEMBL3529322

O=C(c1ccc(-c2cc(Cl)ccc2O)cc1Cl)N1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
KDM4E B2RXH2 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SPR P35270 1/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
AVPR2 P30518 1/20 0.35
P2RX1 P51575 1/20 0.35

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
SCHEMBL3345912 0.84 PIK3CA (0.43) PIK3CAMTORKDM4ELMNA
SCHEMBL2103604 0.83 HSP90AA1 (0.50) MTORKDM4EP2RX7MEN1KMT2A
SCHEMBL2102484 0.82 KDM4E (0.64) KDM4EL3MBTL1MEN1KMT2ACA1
SCHEMBL2100706 0.81 PTGDR2 (0.52) PIK3CAMTORTSHR
SCHEMBL12076370 0.78 PIK3CA (0.43) PIK3CAMTORKDM4EL3MBTL1P2RX7
SCHEMBL2101204 0.76 HSD11B1 (0.53) P2RX7LMNATSHR
SCHEMBL2102470 0.75 ALDH1A1 (0.47) P2RX7KMT2AATMTSHR
SCHEMBL3525797 0.71 ABL1 (0.46) KDM4EMEN1KMT2ASPRLMNA
SCHEMBL2099200 0.71 HPGD (0.47) KDM4EL3MBTL1P2RX7SPRLMNA
SCHEMBL2103916 0.68 TMPRSS4 (0.43) KDM4EP2RX7SPRLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 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 (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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PIK3CA 1858/4885MTOR 4548/4885KDM4E 2344/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PIK3CA 1858/4885MTOR 4548/4885KDM4E 2344/4885

“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.