SCHEMBL200227

SCHEMBL200227

CC(C)(CC1CCCC1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
ESR2 Q92731 13/20 0.48
ESR1 P03372 12/20 0.48
CYP3A4 P08684 3/20 0.43
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
ESRRG P62508 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR2 P34972 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
SCHEMBL202319 0.98 SHBG (0.48) SHBGESR2ESR1CYP3A4LMNA
SCHEMBL200881 0.98 SHBG (0.48) SHBGESR2ESR1CYP3A4LMNA
SCHEMBL200226 0.81 CNR2 (0.36) CNR2
SCHEMBL202318 0.80 CNR2 (0.36) HPGDALDH1A1CYP2D6CNR2
SCHEMBL200880 0.80 CNR2 (0.36) HPGDALDH1A1CYP2D6CNR2
SCHEMBL11459603 0.76 EPHX2 (0.35) HPGDALDH1A1CYP2D6CNR2
SCHEMBL200270 0.74 ESR2 (0.36) ESR2ESR1CYP3A4LMNAHSD17B10
SCHEMBL23259090 0.73 GRM2 (0.38)
SCHEMBL2484671 0.73 LMNA (0.36) ESR2ESR1CYP3A4LMNAHSD17B10
SCHEMBL199902 0.73 LMNA (0.36) ESR2ESR1CYP3A4LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050221091-A1 Composition for producing a thermal insulation coating BASF AKTIENGESELLSCHAFT (DE) 2005-10-06 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
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 SHBG 564/4885ESR2 1167/4885ESR1 2527/4885
US-20040049030-A1 Tert alkylphenoxy substituted polycyclic compounds NR3C1, NR1H4, NR5A1 SHBG 1161/4885ESR2 276/4885ESR1 462/4885

“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.