SCHEMBL3316136

SCHEMBL3316136

Cc1ccc(C(=O)C2(O)CCCCC2C(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
HSD11B1 P28845 1/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14041343 0.87 NPC1 (0.38) NPC1RAB9ANFE2L2KMT2AGAA
SCHEMBL3320782 0.84 LMNA (0.41) NPC1RAB9AKMT2AL3MBTL1LMNA
SCHEMBL3317022 0.83 RAB9A (0.41) NPC1RAB9AKMT2AGAAHSD11B1
SCHEMBL3316132 0.80 NPC1 (0.41) NPC1RAB9AGAAHTTGLA
SCHEMBL9226536 0.74 RAB9A (0.49) NPC1RAB9ANFE2L2KMT2AL3MBTL1
SCHEMBL3315274 0.73 MAPK1 (0.45) NPC1RAB9AGAAL3MBTL1MAPT
SCHEMBL3314911 0.73 CNR2 (0.41) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL3319349 0.72 KMT2A (0.43) RAB9AKMT2AHTTMAPTLMNA
SCHEMBL3318214 0.72 SMN1; SMN2 (0.40) NPC1RAB9AKMT2AGAALMNA
SCHEMBL3317156 0.72 NPC1 (0.47) NPC1RAB9AKMT2AGAALMNA

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 7 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
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

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 NPC1 3402/4885RAB9A 1939/4885NFE2L2 541/4885

“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.