SCHEMBL21136655

SCHEMBL21136655

COc1ccc(COc2ccc(N3CCCC(CO)C3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.50
GRM3 Q14832 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 3/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL21135455 0.90 MAPT (0.53) GRM3MAPTHPGDALDH1A1GAA
SCHEMBL23961208 0.89 GRM3 (0.48) GRM3HRH3MAPTHPGDALDH1A1
SCHEMBL25855632 0.88 NPC1 (0.47) SPHK2HRH3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21135498 0.82 MAPT (0.60) HRH3MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL28984333 0.78 MAPT (0.49) HRH3MAPTHPGDALDH1A1GAA
SCHEMBL25855629 0.76 ESR1 (0.45) TDP1POLB
SCHEMBL31411741 0.76 HTR3E (0.51) MAPTHPGDALDH1A1GAAMAPK1
SCHEMBL7790528 0.75 EPHX2 (0.51) RAB9A
SCHEMBL14198699 0.75 MAPT (0.67) MAPTPOLB
SCHEMBL21135574 0.74 MAP4K4 (0.49) GRM3HRH3MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 SPHK2 1842/4885GRM3 2099/4885HRH3 87/4885

“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.