SCHEMBL3239088

SCHEMBL3239088

Cc1cc(C)cc(Oc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.64
MAPK1 P28482 2/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TEAD4 Q15561 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
FGFR2 P21802 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL16186448 0.88 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL18746760 0.88 TSHR (0.62) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL17998024 0.87 RAB9A (0.68) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL14036232 0.85 TSHR (0.71) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL8736729 0.85 TSHR (0.71) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL427816 0.84 RAB9A (0.77) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL18118972 0.84 RAB9A (0.77) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL127279 0.84 RAB9A (0.77) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL9352887 0.84 ALDH1A1 (0.81) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL10030474 0.82 ALDH1A1 (0.62) ALDH1A1RAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240276-B1 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS CENTRE NAT RECH SCIENT (FR) 2020-12-02 EP disclosed
US-9861971-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-01-09 US disclosed
US-9861971-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-01-09 US disclosed
US-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-05-12 US disclosed
US-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-05-12 US disclosed
US-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-05-12 US disclosed
US-9272274-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-03-01 US disclosed
US-9272274-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-03-01 US disclosed
US-9272274-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-03-01 US disclosed
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-12-15 US disclosed
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-12-15 US disclosed
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-12-15 US disclosed
EP-2240276-A2 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS Centre National de la Recherche Scientifique (CNRS) (FR) 2010-10-20 EP disclosed
WO-2009071997-A9 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-02-25 WO disclosed
WO-2009071997-A9 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-02-25 WO disclosed
WO-2009071997-A2 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-06-11 WO disclosed
WO-2009071997-A2 IRON AND COPPER CATALYTIC SYSTEMS FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-06-11 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-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS HCCS, FECH, CTRC ALDH1A1 1397/4885RAB9A 2640/4885MAPT 4078/4885
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions FECH, HCCS, CTRC ALDH1A1 1936/4885RAB9A 2147/4885MAPT 4222/4885

“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.