SCHEMBL309778

SCHEMBL309778

CC1(C)Cc2ccc(C=O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OGA O60502 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A3 P47895 2/20 0.33
CYP2A6 P11509 3/20 0.33

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
SCHEMBL2558135 0.86 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL5508716 0.83 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1MAPTMEN1
SCHEMBL9617823 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL9679204 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL30340334 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL6156507 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL9054394 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1KDM4ETSHR
SCHEMBL27762198 0.76 MAPT (0.63) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL31085276 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1MAPTKDM4E
SCHEMBL12180466 0.74 KDM4E (0.38) ALDH1A1OGAMAPTKDM4EGAA

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-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO disclosed
EP-0473041-A1 2,3-Dihydrobenzofurylmethylesters, their preparation and compositions containing these for combatting parasites BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed
EP-0023637-B1 SUBSTITUTED 2,3-DIHYDROBENZOFURYLMETHYL-CYCLOPROPANECARBOXYLIC ACID ESTERS, PROCESS FOR THEIR PREPARATION, PROCESS FOR COMBATTING PARASITES, AND AGENTS THEREFOR BASF Aktiengesellschaft (DE) 1984-04-04 EP disclosed
US-4298615-A INSECTICIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US disclosed
EP-0023637-A1 Substituted 2,3-dihydrobenzofurylmethyl-cyclopropanecarboxylic acid esters, process for their preparation, process for combatting parasites, and agents therefor BASF Aktiengesellschaft (DE) 1981-02-11 EP 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-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP ALDH1A1 2566/4885HSD17B10 2690/4885TDP1 1554/4885

“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.