Sugi Predict

Sugi Predict / Compounds / SCHEMBL4613445

SCHEMBL4613445

SCHEMBL4613445

Cc1c(Cl)cc(C(C)C)c(-c2c(C(C)C)cc(Cl)c(C)c2O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.54
▸ GABRB1 P18505 4/20 0.54
▸ LMNA P02545 3/20 0.52
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ GABRB2 P47870 3/20 0.39
▸ HIF1A Q16665 3/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37

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
SCHEMBL15698348 0.83 LMNA (0.52) GABRA1GABRB1LMNACA1CA2
SCHEMBL1244520 0.80 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2
SCHEMBL214386 0.78 GABRA1 (0.46) GABRA1GABRB1LMNACA1CA2
SCHEMBL6283809 0.76 GABRA1 (0.50) GABRA1GABRB1LMNACA1CA2
SCHEMBL17160048 0.75 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2
Biclotymol SCHEMBL31496050 0.75 HIF1A (0.54) GABRA1GABRB1LMNACA1CA2
SCHEMBL572969 0.75 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2
Biclotymol SCHEMBL70634 0.75 HIF1A (0.54) GABRA1GABRB1LMNACA1CA2
SCHEMBL29810169 0.75 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2
SCHEMBL17273271 0.75 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2

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 841/4885GABRB1 725/4885LMNA 2085/4885

“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.