Sugi Predict

Sugi Predict / Compounds / SCHEMBL6979400

SCHEMBL6979400

SCHEMBL6979400

CCCCCc1ccc(C(C)C)cc1-c1cc(C(C)C)ccc1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTR2A P28223 2/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ RORA P35398 1/20 0.35
▸ RORC P51449 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
SCHEMBL11575821 0.84 LMNA (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL28248175 0.82 TYR (0.62) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL31544891 0.81 TYR (0.65) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876250 0.81 TYR (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9875530 0.81 TYR (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9874563 0.79 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876010 0.79 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876048 0.79 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876167 0.79 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9875860 0.79 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5

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
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 claimed
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 TYR 1095/4885MEN1 1343/4885TP53 1642/4885

“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.