SCHEMBL199691

SCHEMBL199691

CCCC(C)(C)c1ccc([O])cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.46
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CNR1 P21554 1/20 0.36

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
SCHEMBL199438 0.87 CNR2 (0.49) CNR2ESR1ESR2CNR1
SCHEMBL988783 0.85 CNR2 (0.56) CNR2CNR1
SCHEMBL8654648 0.84 CNR2 (0.58) CNR2CNR1
SCHEMBL8654357 0.84 CNR2 (0.58) CNR2CNR1
SCHEMBL200312 0.81 NPC1 (0.48) CNR2
SCHEMBL18930278 0.81 TSHR (0.46) CNR2ESR1ESR2CNR1
SCHEMBL23616384 0.79 CNR2 (0.44) CNR2ESR1ESR2CNR1
SCHEMBL14670231 0.79 CNR2 (0.44) CNR2ESR1ESR2CNR1
SCHEMBL12981405 0.79 TSHR (0.50) CNR2ESR1ESR2CNR1
SCHEMBL8521471 0.77 CNR2 (0.42) CNR2ESR1ESR2CNR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO claimed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-7408061-B2 Rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2008-08-05 US disclosed
EP-1521815-B1 COMPOSITION FOR PRODUCING A THERMAL INSULATION COATING BASF SE (DE) 2008-07-16 EP disclosed
US-7252785-B2 Composition of a radiation-absorbing tert-alkylphenoxy-substituted polycyclic ccmpound and a curable IR-reflecting component of achiral nematic polymerizable monomer, a chiral polymerizable monomer, a cholesteric polymerizable monomer, and a cholesteric polymer in a polymerizable diluent BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-7145010-B2 Tert-alkylphenoxy-substituted polycyclic compounds BASF AKTIENGESELLSCHAFT (DE) 2006-12-05 US disclosed
EP-1532210-B1 RYLENE DYES BASF AG (DE) 2006-11-22 EP disclosed
US-20060075585-A1 Rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 US disclosed
EP-1373272-B1 TERT. ALKYLPHENOXY SUBSTITUTED POLYCYCLIC COMPOUNDS BASF AG (DE) 2005-06-29 EP disclosed
EP-1521815-A2 COMPOSITION FOR PRODUCING A THERMAL INSULATION COATING BASF AKTIENGESELLSCHAFT (DE) 2005-04-13 EP disclosed
EP-1379577-B1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES SOLUTIA INC (US) 2004-08-25 EP disclosed
US-6737159-B2 Controlling solar radiation in safety glass laminates SOLUTIA, INC. 2004-05-18 US disclosed
US-20040049030-A1 Tert alkylphenoxy substituted polycyclic compounds BASF SE (DE) 2004-03-11 US disclosed
WO-2004005427-A2 COMPOSITION FOR PRODUCING A THERMAL INSULATION COATING BASF AKTIENGESELLSCHAFT (DE) 2004-01-15 WO disclosed
EP-1379577-A1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES Solutia Inc. (US) 2004-01-14 EP disclosed
WO-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
US-20020182422-A1 Controlling solar radiation in safety glass laminates SOLUTIA INC. 2002-12-05 US disclosed
WO-2002077081-A1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES SOLUTIA, INC. (US) 2002-10-03 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 CNR2 266/4885ESR1 2527/4885ESR2 1167/4885
US-20040049030-A1 Tert alkylphenoxy substituted polycyclic compounds NR3C1, NR1H4, NR5A1 CNR2 296/4885ESR1 462/4885ESR2 276/4885

“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.