SCHEMBL4657288

SCHEMBL4657288

COc1cc(OCOc2ccc(Cl)c(OC)c2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
L3MBTL1 Q9Y468 6/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DYRK1A Q13627 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL10921099 0.92 GPR84 (0.48) GPR84L3MBTL1MAPTALDH1A1HPGD
SCHEMBL13425464 0.86 ALDH1A1 (0.49) GPR84L3MBTL1MAPTALDH1A1HPGD
SCHEMBL13064498 0.83 GPR84 (0.53) GPR84L3MBTL1MAPTALDH1A1HPGD
SCHEMBL29586665 0.83 CA12 (0.62) MAPTALDH1A1HPGDMEN1CYP2C9
SCHEMBL14127254 0.83 CA12 (0.62) MAPTALDH1A1HPGDMEN1CYP2C9
SCHEMBL196970 0.83 CA12 (0.62) MAPTALDH1A1HPGDMEN1CYP2C9
SCHEMBL13020438 0.82 GPR84 (0.46) GPR84L3MBTL1MAPTALDH1A1HPGD
SCHEMBL21327259 0.79 MAOB (0.58) GPR84L3MBTL1MAPTALDH1A1ALOX12
SCHEMBL19555416 0.79 MCL1 (0.67) L3MBTL1MAPTPOLBCYP2C19TDP1
Nitrogen SCHEMBL8497790 0.78 CA12 (0.56) MAPTALDH1A1HPGDMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186609-B1 Diphosphines SALTIGO GMBH (DE) 2008-12-03 EP disclosed
US-6844462-B2 Reacting phenol with an alkali metal hydride, etherification, cyclization, decyclization, hydroxylation, phosphorylation; forming a chemical intermediates for phosphine catalyst BAYER AKTIENGESELLSCHAFT (DE) 2005-01-18 US disclosed
US-20030181736-A1 Diphosphines LANXESS DEUTSCHLAND GMBH (DE) 2003-09-25 US disclosed
US-6566298-B2 For use as catalysts BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-20030045713-A1 Diphosphines LANXESS DEUTSCHLAND GMBH (DE) 2003-03-06 US disclosed
US-6462200-B2 CONVERTING A PHENOL INTO THE CORRESPONDING PHENOXIDE USING A BASE, REACTING THE PHENOXIDE WITH DIHALOGENOMETHANE TO GIVE A FORMALDEHYDE ACETAL, INTRAMOLECULARLY OXIDATIVELY COUPLING THE FORMALDEHYDE ACETAL TO GIVE A CYCLOHEPTADIENE BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-20020055653-A1 Converting a phenol into the corresponding phenoxide using a base, reacting the phenoxide with dihalogenomethane to give a formaldehyde acetal, intramolecularly oxidatively coupling the formaldehyde acetal to give a cycloheptadiene LANXESS DEUTSCHLAND GMBH (DE) 2002-05-09 US disclosed
EP-1186609-A2 Diphosphines BAYER AG (DE) 2002-03-13 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 (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-20030045713-A1 Diphosphines CBR1, SCO2, CCR1 GPR84 3419/4885L3MBTL1 500/4885MAPT 4840/4885
US-20020055653-A1 Converting a phenol into the corresponding phenoxide using a base, reacting the phenoxide with dihalogenomethane to give a formaldehyde acetal, intramolecularly oxidatively coupling the formaldehyde acetal to give a cycloheptadiene CBR1, PAH, CYP2E1 GPR84 2860/4885L3MBTL1 1982/4885MAPT 4681/4885
US-20030181736-A1 Diphosphines CBR1, SCO2, CCR1 GPR84 3419/4885L3MBTL1 500/4885MAPT 4840/4885

“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.