SCHEMBL3317022

SCHEMBL3317022

Cc1ccc(C(=O)C2(O)CCCCC2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SRD5A2 P31213 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 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
SCHEMBL3314911 0.86 CNR2 (0.41) RAB9ANPC1HPGDALDH1A1LMNA
SCHEMBL3315274 0.86 MAPK1 (0.45) RAB9ANPC1ALDH1A1GAACES2
SCHEMBL3319349 0.85 KMT2A (0.43) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3318214 0.85 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3316132 0.85 NPC1 (0.41) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL3316136 0.83 NPC1 (0.39) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL13417051 0.83 LMNA (0.34) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL13416757 0.83 KMT2A (0.35) SMN1; SMN2ALDH1A1SRD5A2MEN1KMT2A
SCHEMBL3318648 0.83 KMT2A (0.39) ALDH1A1GAALMNASRD5A2MEN1
SCHEMBL3318341 0.82 POLB (0.40) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
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
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
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US 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
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 RAB9A 1939/4885NPC1 3402/4885SMN1; SMN2 4802/4885

“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.