SCHEMBL4866477

SCHEMBL4866477

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 1/20 0.46
VCAM1 P19320 9/20 0.38
RARG P13631 3/20 0.38
RXRA P19793 3/20 0.38
PPARG P37231 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
HSP90AA1 P07900 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL76574 0.85 LMNA (0.41) NR5A2NR5A1VCAM1CYP1A2CYP2C9
SCHEMBL29356716 0.85 LMNA (0.41) NR5A2NR5A1VCAM1CYP1A2CYP2C9
SCHEMBL28715272 0.85 NR5A2 (0.36) NR5A2NR5A1VCAM1RARGRXRA
SCHEMBL29193192 0.85 NR5A2 (0.43) NR5A2NR5A1VCAM1RARGRXRA
SCHEMBL28024266 0.82 ALOX5 (0.46) ALDH1A1POLBALOX5PTGS2
SCHEMBL5561251 0.80 ESR1 (0.36) NR5A2NR5A1VCAM1CYP1A2CYP2C9
SCHEMBL5181476 0.80 NR1H4 (0.40) RARGRXRAPPARGALDH1A1POLB
SCHEMBL1530144 0.80 NR5A2 (0.55) NR5A2NR5A1RARGRXRAPPARG
SCHEMBL30314144 0.80 NR5A2 (0.55) NR5A2NR5A1RARGRXRAPPARG
SCHEMBL9423780 0.78 NR5A2 (0.50) NR5A2NR5A1RARGRXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358365-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-15 US disclosed
US-20070185250-A1 Stabilization of polyether polyols, polyester polyols and polyurethanes CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-08-09 US disclosed
US-20070037940-A1 Romp with fluorinated groups CIBA SPECIALTY CHEMICALS CORP. 2007-02-15 US disclosed
US-7148382-B2 Bathochromic mono- and bis-acylphosphine oxides and sulfides and their use as photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-12-12 US disclosed
US-20060246377-A1 Halogenated oxime derivatives and the use thereof as latent acids BASF SE (DE) 2006-11-02 US disclosed
US-20060128903-A1 Process for the controlled increase in the molecular weight of polyethylenes ROTH MICHAEL 2006-06-15 US disclosed
US-20050131115-A1 Stabilizer mixtures GUGUMUS FRANCOIS (CH) 2005-06-16 US disclosed
US-20040204613-A1 Bathochromic mono-and bis-acylphosphine oxides and sulfides and their use as photoinitiators IGM GROUP B.V. (NL) 2004-10-14 US disclosed
US-20040082492-A1 Biocidal plastics internal elements for mass transfer apparatus CIBA SPECIALTY CHEMICALS CORP. 2004-04-29 US 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 (4 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-20060246377-A1 Halogenated oxime derivatives and the use thereof as latent acids AHR, ARSA, SULT1A1 NR5A2 227/4885NR5A1 46/4885VCAM1 3469/4885
US-20050131115-A1 Stabilizer mixtures C1R, C1S, C9 NR5A2 2529/4885NR5A1 672/4885VCAM1 2530/4885
US-20070185250-A1 Stabilization of polyether polyols, polyester polyols and polyurethanes PUF60, UFL1, XRCC5 NR5A2 4506/4885NR5A1 3236/4885VCAM1 4760/4885
US-20040204613-A1 Bathochromic mono-and bis-acylphosphine oxides and sulfides and their use as photoinitiators LBR, NR1H2, CBR1 NR5A2 942/4885NR5A1 494/4885VCAM1 3709/4885

“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.