SCHEMBL3318569

SCHEMBL3318569

CCCNCCC.COc1ccc(C(=O)C2(O)CCCCC2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
LMNA P02545 2/20 0.40
EPHX2 P34913 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL3315274 0.89 MAPK1 (0.45) ALDH1A1NPC1RAB9AEPHX2SLC6A4
SCHEMBL3317933 0.83 KDM2B (0.39) SMN1; SMN2NPC1RAB9AKDM2BKDM4E
SCHEMBL3317937 0.83 KDM2B (0.39) SMN1; SMN2NPC1RAB9AKDM2BKDM4E
SCHEMBL3318810 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AMDM2
SCHEMBL17296893 0.81 ATM (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AMDM2
SCHEMBL13398104 0.81 POLB (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMDM2
SCHEMBL3314282 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AMDM2
SCHEMBL3317270 0.80 CYP3A4 (0.45) SMN1; SMN2ALDH1A1LMNAKDM2BTDP1
SCHEMBL3318683 0.80 POLB (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMDM2
SCHEMBL3318434 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 SMN1; SMN2 4802/4885ALDH1A1 734/4885NPC1 3402/4885

“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.