SCHEMBL6311331

SCHEMBL6311331

COc1cc(C)c(CCl)c(OS(=O)(=O)c2ccc(C)cc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.42
GAA P10253 2/20 0.40
APP P05067 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL14228004 0.87 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL14227997 0.79 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL4464522 0.77 ACHE (0.45) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL6496116 0.75 CYP1A1 (0.52) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6340781 0.74 GFER (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1937051 0.72 GFER (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1936395 0.72 LMNA (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8820285 0.71 MEN1 (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6112675 0.71 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1323737 0.70 GFER (0.45) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-10 US disclosed
EP-1328654-A4 A PRACTICAL, COST-EFFECTIVE SYNTHESIS OF COQ10 UNIV CALIFORNIA (US) 2005-10-26 EP disclosed
US-20050137410-A1 Practical, cost-effective synthesis of CoQ10 ZYMES, INC. (US) 2005-06-23 US disclosed
US-6852895-B2 Oxidation of a phenol compound ZYMES, INC. (US) 2005-02-08 US disclosed
EP-1328654-A1 A PRACTICAL, COST-EFFECTIVE SYNTHESIS OF COQ10 The Regents of the University of California (US) 2003-07-23 EP disclosed
US-20030073869-A1 Practical, cost-effective synthesis of CoQ10 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-04-17 US disclosed
US-6545184-B1 Electron transfer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-08 US disclosed
WO-2002014530-A1 A PRACTICAL, COST-EFFECTIVE SYNTHESIS OF COQ10 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-02-21 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 (3 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-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES NDUFA10, NDUFB10, NDUFV1 ALDH1A1 967/4885MAPT 3856/4885LMNA 3141/4885
US-20050137410-A1 Practical, cost-effective synthesis of CoQ10 NDUFA10, NDUFB10, NDUFS6 ALDH1A1 1717/4885MAPT 3675/4885LMNA 2966/4885
US-20030073869-A1 Practical, cost-effective synthesis of CoQ10 NDUFA10, NDUFB10, NDUFS6 ALDH1A1 1717/4885MAPT 3675/4885LMNA 2966/4885

“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.