SCHEMBL3314809

SCHEMBL3314809

COc1ccc(C(=O)C2(O)CCCCC2C(=O)OCC(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL3318434 0.86 SMN1; SMN2 (0.47) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3315532 0.86 FKBP1A (0.37) ADRB2ADRB1ADRB3EPHX2ATM
SCHEMBL13397953 0.84 FKBP1A (0.40) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14980955 0.84 POLB (0.40) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3318260 0.84 CHRM2 (0.45) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3314610 0.84 ATM (0.39) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17296893 0.83 ATM (0.53) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3312340 0.81 SMN1; SMN2 (0.38) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3315534 0.81 CHRM2 (0.42) EPHX2ATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3315191 0.81 FKBP1A (0.38) ATML3MBTL1ALDH1A1SMN1; SMN2MAPT

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 ADRB2 964/4885ADRB1 816/4885ADRB3 550/4885

“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.