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Sugi Predict / Compounds / SCHEMBL4633136

SCHEMBL4633136

SCHEMBL4633136

C=CCc1cc(-c2cc(CC=C)c(Cl)cc2CC=C)c(CC=C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.36
▸ GABRB2 P47870 5/20 0.36
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32

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
SCHEMBL11766536 0.83 GABRA1 (0.40) GABRA1GABRB2PTGDRPTGDR2MAPT
SCHEMBL3843623 0.78 GABRA1 (0.52) GABRA1GABRB2PTGDRPTGDR2MAPT
SCHEMBL10981064 0.74 GABRA1 (0.47) GABRA1GABRB2PTGDRPTGDR2MAPT
SCHEMBL13303933 0.74 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL2474391 0.74 TRPV4 (0.36) GABRA1GABRB2GAAALDH1A1KDM4E
SCHEMBL15066541 0.71 PTGDR (0.50) GABRA1GABRB2PTGDRPTGDR2MAPT
SCHEMBL249746 0.71 IDO1 (0.54) PTGDRPTGDR2MAPTPOLBALDH1A1
SCHEMBL21546534 0.71 GAA (0.40) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL30956678 0.71 IDO1 (0.54) PTGDRPTGDR2MAPTPOLBALDH1A1
SCHEMBL3342637 0.70 HPGD (0.33) GABRA1GABRB2PTGDRPTGDR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448503-B1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS INVISTA TECH SARL (US) 2008-01-30 — — EP disclosed
US-20040049087-A1 Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols INVISTA NORTH AMERICA S.A.R.L. (F/K/A ARTEVA NORTH AMERICA S.A.R.L.) 2004-03-11 — — US disclosed
US-6555718-B1 Oxidatively coupling of phenols in presence of Lewis Acid catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-29 — — US disclosed
US-6489517-B1 CHLORINATING DIALKYLPHENOL, OXIDATIVELY COUPLING PRODUCT IN POLAR APROTIC SOLVENT TO PRODUCE DICHLOROTETRAALKYLBIPHENOL, DECHLORINATING TO PRODUCE TETRAALKYLBIPHENOL, BROMINATING OR IODINATING IF DESIRED E. I. DU PONT DE NEMOURS AND COMPANY 2002-12-03 — — 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 (1 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-20040049087-A1 Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols CYP2B6, CYP26B1, UGT1A6 GABRA1 841/4885GABRB2 607/4885PTGDR 849/4885

“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.