SCHEMBL4828018

SCHEMBL4828018

CC(C)(C)c1ccc(C(=O)CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
MAPT P10636 3/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 1/20 0.70
KCNH2 Q12809 1/20 0.70
ALDH1A1 P00352 5/20 0.65
RECQL P46063 2/20 0.65
ALOX15 P16050 1/20 0.65
APEX1 P27695 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
HSP90AA1 P07900 1/20 0.57

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
SCHEMBL450084 0.90 RAB9A (0.85) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL6751080 0.84 NPC1 (0.68) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL600674 0.84 ERCC5 (0.72) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL10488403 0.83 LMNA (1.00) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL1904124 0.83 MAPT (0.73) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL268855 0.83 RAB9A (0.73) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL7090275 0.83 NPC1 (1.00) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL1177177 0.82 RAB9A (0.72) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL9395070 0.82 POLB (0.72) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL25706901 0.82 RAB9A (0.67) RAB9ANPC1MAPTPOLBLMNA

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-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
EP-1205475-B1 Flavonoid compounds for use against oxidative stress and UV radiation MERCK PATENT GMBH (DE) 2004-10-27 EP disclosed
US-20040202624-A1 Galenical formulation PFLUECKER FRANK (DE) 2004-10-14 US disclosed
US-20020106338-A1 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-08-08 US disclosed
EP-1205475-A1 Flavonoid compounds for use against oxidative stress and UV radiation MERCK PATENT GmbH (DE) 2002-05-15 EP 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 (2 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-20040202624-A1 Galenical formulation GALR1, GLA, GALR3 RAB9A 2679/4885NPC1 3373/4885MAPT 2887/4885
US-20020106338-A1 Galenical formulation GALR1, GLA, GALR3 RAB9A 2679/4885NPC1 3373/4885MAPT 2887/4885

“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.