SCHEMBL2104229

SCHEMBL2104229

Cc1cc(Br)ccc1C(=O)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.53
CASP6 P55212 1/20 0.51
CCKBR P32239 4/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL256310 0.98 HPGD (0.59) HPGDTSHRALDH1A1NPSR1KMT2A
SCHEMBL4243617 0.95 HTT (0.58) HPGDTSHRALDH1A1NPSR1KMT2A
SCHEMBL1447805 0.87 POLB (0.68) HPGDTSHRALDH1A1KMT2ANPC1
SCHEMBL19086436 0.86 HTT (0.47) HPGDTSHRALDH1A1NPSR1KMT2A
SCHEMBL1447243 0.86 POLB (0.57) HPGDTSHRALDH1A1NPSR1KMT2A
SCHEMBL1447782 0.86 HPGD (0.50) HPGDKMT2AMEN1GAARAB9A
SCHEMBL21189714 0.85 HPGD (0.58) HPGDTSHRALDH1A1NPSR1KMT2A
SCHEMBL1085344 0.84 L3MBTL3 (0.72)
SCHEMBL19869975 0.84 RXFP1 (0.48) HPGDTSHRHTT
SCHEMBL970089 0.84 HPGD (0.55) HPGDKMT2AGAARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
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-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
CN-101048369-B Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB 2010-09-08 CN disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 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
CN-101048369-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
EP-1784388-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2007-05-16 EP disclosed
WO-2006021759-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2006-03-02 WO 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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 HPGD 751/4885TSHR 1185/4885ALDH1A1 42/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 HPGD 751/4885TSHR 1185/4885ALDH1A1 42/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 HPGD 751/4885TSHR 1185/4885ALDH1A1 42/4885

“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.