SCHEMBL3315532

SCHEMBL3315532

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.37
FKBP4 Q02790 1/20 0.37
FKBP5 Q13451 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3318260 0.88 CHRM2 (0.45) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL14980955 0.88 POLB (0.40) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3314809 0.86 ADRB2 (0.40) ATML3MBTL1ADRB2ADRB1ADRB3
SCHEMBL13397953 0.86 FKBP1A (0.40) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3314610 0.86 ATM (0.39) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3320618 0.84 CHRM2 (0.42) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3315534 0.84 CHRM2 (0.42) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL3318434 0.83 SMN1; SMN2 (0.47) ATML3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3315191 0.82 FKBP1A (0.38) FKBP1AFKBP4FKBP5ATML3MBTL1
SCHEMBL17296893 0.81 ATM (0.53) 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 3 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

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 FKBP1A 2441/4885FKBP4 1629/4885FKBP5 1862/4885

“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.