SCHEMBL3298622

SCHEMBL3298622

O=Cc1ccc(OCCO)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ CA1 P00915 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL252784 0.85 GAA (0.39) ALDH1A1GAASMN1; SMN2KCNJ1L3MBTL1
SCHEMBL17662278 0.84 ALDH1A1 (0.43) ALDH1A1RECQLKCNJ1
SCHEMBL8522859 0.82 MAPT (0.44) ALDH1A1CA1CA12CA9CYP3A4
SCHEMBL7373164 0.82 CA12 (0.42) ALDH1A1CA1CA12CA9SMN1; SMN2
SCHEMBL31371078 0.81 FDPS (0.40) ALDH1A1RECQL
SCHEMBL17941786 0.80 APP (0.44) ALDH1A1
SCHEMBL20489792 0.78 NCF1 (0.42) ALDH1A1RECQLSMN1; SMN2PDE3BPDE3A
SCHEMBL38663693 0.78 GAA (0.38) GAAKCNJ1L3MBTL1
SCHEMBL3386711 0.78 CHRNB2 (0.51) ALDH1A1
SCHEMBL19816984 0.78 CHRNB2 (0.45) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954506-B2 Polymer engineered regenerating bioscavengers CARNEGIE MELLON UNIVERSITY (US) 2021-03-23 — — US disclosed
US-10947525-B2 Polymer engineered regenerating bioscavengers CARNEGIE MELLON UNIVERSITY (US) 2021-03-16 — — US disclosed
US-10400232-B2 Polymer engineered regenerating bioscavengers CARNEGIE MELLON UNIVERSITY (US) 2019-09-03 — — US disclosed
US-20160244741-A1 POLYMER ENGINEERED REGENERATING BIOSCAVENGERS CARNEGIE MELLON UNIVERSITY 2016-08-25 — — US disclosed
US-20160244741-A1 POLYMER ENGINEERED REGENERATING BIOSCAVENGERS CARNEGIE MELLON UNIVERSITY 2016-08-25 — — US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 — — US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 — — US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 — — US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 — — US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 — — US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 — — US disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 — — US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 — — EP disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 — — US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 — — US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 — — US disclosed
EP-2066637-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS Bayer HealthCare AG (DE) 2009-06-10 — — EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 — — WO disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — 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 (7 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-10947525-B2 Polymer engineered regenerating bioscavengers BCHE, ACHE, CES2 ALDH1A1 87/4885RECQL 1224/4885GAA 486/4885
US-20160244741-A1 POLYMER ENGINEERED REGENERATING BIOSCAVENGERS BCHE, ACHE, CES2 ALDH1A1 87/4885RECQL 1224/4885GAA 486/4885
US-10400232-B2 Polymer engineered regenerating bioscavengers BCHE, ACHE, CES2 ALDH1A1 87/4885RECQL 1224/4885GAA 486/4885
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 1063/4885RECQL 715/4885GAA 3201/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 ALDH1A1 1711/4885RECQL 2226/4885GAA 1914/4885
US-10954506-B2 Polymer engineered regenerating bioscavengers BCHE, ACHE, CES2 ALDH1A1 87/4885RECQL 1224/4885GAA 486/4885
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 1063/4885RECQL 715/4885GAA 3201/4885

“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.

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