SCHEMBL3701730

SCHEMBL3701730

CCCCCC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
SLC7A5 Q01650 1/20 0.49
PTGES O14684 3/20 0.48
ALOX5 P09917 3/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 1/20 0.48
ESR1 P03372 3/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5326614 0.98 ESR1 (0.50) FOLH1TRPV1SLC7A5PTGESALOX5
SCHEMBL604071 0.95 FOLH1 (0.53) FOLH1SLC7A5PTGESALOX5PPARG
SCHEMBL28769212 0.92 PPARG (0.50) FOLH1SLC7A5PTGESALOX5PPARG
SCHEMBL5966674 0.88 ESR1 (0.54) FOLH1SLC7A5PPARGESR1SLC6A3
SCHEMBL10778624 0.87 FOLH1 (0.68) FOLH1PTGESALOX5PPARGCPA3
SCHEMBL28223654 0.86 PTGES (0.50) FOLH1PTGESALOX5PPARGPPARA
SCHEMBL7768894 0.86 PTGES (0.50) FOLH1PTGESALOX5PPARGPPARA
SCHEMBL10809828 0.86 ESR1 (0.50) TRPV1ESR1ADRA2AADORA3TACR2
SCHEMBL10955140 0.85 FOLH1 (0.66) FOLH1PTGESALOX5PPARGCPA3
SCHEMBL9653477 0.85 FOLH1 (0.66) FOLH1PTGESALOX5PPARGCPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 FOLH1 4428/4885TRPV1 35/4885SLC7A5 1816/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 FOLH1 4387/4885TRPV1 35/4885SLC7A5 1842/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 FOLH1 4421/4885TRPV1 35/4885SLC7A5 1877/4885

“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.