SCHEMBL1936658

SCHEMBL1936658

COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.72
ALDH1A1 P00352 14/20 0.69
GAA P10253 3/20 0.69
LMNA P02545 5/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 7/20 0.61
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
PKM P14618 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
APP P05067 1/20 0.61
MAPK1 P28482 2/20 0.60
POLB P06746 2/20 0.58
ALOX12 P18054 1/20 0.58
MCL1 Q07820 1/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.54

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
SCHEMBL1935202 0.94 HPGD (0.67) GFERALDH1A1GAALMNAHTT
SCHEMBL9155140 0.93 GFER (0.61) GFERALDH1A1GAALMNAHTT
Isovanillin SCHEMBL1936859 0.87 HPGD (0.63) GFERALDH1A1GAALMNAHTT
SCHEMBL15631695 0.85 GFER (0.53) GFERALDH1A1GAALMNAHTT
SCHEMBL14220802 0.85 GFER (0.66) GFERALDH1A1GAALMNAHTT
SCHEMBL21993216 0.83 GFER (0.58) GFERALDH1A1GAALMNAHTT
SCHEMBL29675123 0.82 FDPS (0.66) GFERALDH1A1GAALMNAHTT
SCHEMBL6938990 0.81 GFER (0.61) GFERALDH1A1GAALMNAHTT
SCHEMBL2066684 0.81 GFER (0.61) GFERALDH1A1GAALMNAHTT
SCHEMBL13924691 0.81 GFER (0.61) GFERALDH1A1GAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-2331539-A2 1,3,4,6,7,11B-HEXAHYDRO-BENZO[ALPHA]QUINOLIZINES FOR THE TREATMENT OF HYPERKINETIC MOVEMENT AND RELATED DISORDERS Biovail Laboratories International (Barbados) SRL (BB) 2011-06-15 EP disclosed
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
WO-2010026436-A2 PHARMACEUTICAL COMPOUNDS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-03-11 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 (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-20100087475-A1 PHARMACEUTICAL COMPOUNDS UGT2B7, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GFER 3891/4885ALDH1A1 292/4885GAA 37/4885

“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.