SCHEMBL3312340

SCHEMBL3312340

COc1ccc(C(=O)C2(O)CCCCC2C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C2CCCCC2(O)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
POLB P06746 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
SCHEMBL3315667 0.96 SMN1; SMN2 (0.36) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL3318434 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL14980955 0.82 POLB (0.40) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL3318260 0.82 CHRM2 (0.45) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL3314610 0.82 ATM (0.39) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL13397953 0.82 FKBP1A (0.40) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL17296893 0.81 ATM (0.53) SMN1; SMN2LMNAATML3MBTL1ALDH1A1
SCHEMBL3314809 0.81 ADRB2 (0.40) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL3315534 0.79 CHRM2 (0.42) SMN1; SMN2LMNANPSR1TDP1ATM
SCHEMBL3315191 0.79 FKBP1A (0.38) SMN1; SMN2LMNANPSR1TDP1ATM

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 4802/4885LMNA 951/4885NPSR1 956/4885

“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.