SCHEMBL1332738

SCHEMBL1332738

CC(Oc1ccc(Cl)cc1Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.50
PPARA Q07869 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGDR Q13258 1/20 0.50
PTGER1 P34995 8/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL13603780 0.90 TSHR (0.68) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL21059454 0.84 TSHR (0.68) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL21059453 0.84 TSHR (0.68) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL2945003 0.83 PTGER1 (0.47) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL10983124 0.83 KMT2A (0.58) TSHRKMT2ACYP3A4HPGDL3MBTL1
SCHEMBL11835348 0.82 TSHR (0.57) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL21059488 0.81 TSHR (0.62) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL21059489 0.81 TSHR (0.62) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL11069881 0.80 ALOX15 (0.51) PPARAKMT2AMEN1CYP3A4HPGD
SCHEMBL30287862 0.80 TSHR (0.61) TSHRHTR2AHTR2CHTR2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US claimed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP claimed
JP-2007502806-A 2007-02-15 JP claimed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 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 (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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 TSHR 655/4885HTR2A 75/4885HTR2C 119/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN TSHR 1766/4885HTR2A 265/4885HTR2C 325/4885

“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.