SCHEMBL7737580

SCHEMBL7737580

COC(=O)CCc1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.60
BACE1 P56817 2/20 0.57
APP P05067 2/20 0.50
ALOX5 P09917 3/20 0.47
OR51E2 Q9H255 1/20 0.47
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
EGFR P00533 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL7725121 0.92 BACE1 (0.55) PTPN1BACE1APPALOX5THRA
SCHEMBL7734908 0.89 PTPN1 (0.48) PTPN1BACE1APPALOX5OR51E2
SCHEMBL10704484 0.86 PTPN1 (0.46) PTPN1BACE1APPALOX5OR51E2
SCHEMBL3685390 0.85 CCNC (0.58) PTPN1BACE1APPALOX5OR51E2
SCHEMBL9202609 0.85 ALDH1A1 (0.59) PTPN1BACE1THRATHRBEGFR
SCHEMBL12646568 0.82 HCAR2 (0.55) PTPN1APPALDH1A1
SCHEMBL12646541 0.82 PTPN1 (0.55) PTPN1CNR2
SCHEMBL15823895 0.82 PTPN1 (0.59) PTPN1APPSIRT2ALDH1A1GAA
SCHEMBL5039715 0.81 PTPN1 (0.55) PTPN1SIRT2CNR2ALDH1A1
Hydrochloric Acid SCHEMBL27753206 0.81 PTPN1 (0.58) PTPN1APPSIRT2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 EP disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 US disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 US disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 US disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 US disclosed
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 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 (1 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-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A PTPN1 3700/4885BACE1 1151/4885APP 1755/4885

“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.