SCHEMBL6364833

SCHEMBL6364833

COC1=CC(O)(O)C=C(OC)C1/C=C/C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
BCHE P06276 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
AKT1 P31749 2/20 0.44
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAOB P27338 3/20 0.41
TNFRSF1A P19438 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MEN1 O00255 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3503674 0.79 MAPT (0.43) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL6364613 0.74 AKT1 (0.35) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27641444 0.71 NPC1 (0.37) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27762382 0.69 NPC1 (0.40) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27741902 0.69 BCHE (0.39) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL372312 0.69 MAPT (0.40) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL10425119 0.68 MAPT (0.45) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL1938587 0.68 NPC1 (0.41) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL28150514 0.67 NPC1 (0.43) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27741901 0.67 NPC1 (0.40) MAPTBCHENPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050031572-A1 Cosmetic or dermatological preparations including hops or hop-malt extracts and methods of using same for the prophylaxis and treatment of skin symptoms BEIERSDORF AG 2005-02-10 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-20050031572-A1 Cosmetic or dermatological preparations including hops or hop-malt extracts and methods of using same for the prophylaxis and treatment of skin symptoms CUTA, TYR, HMBS MAPT 438/4885BCHE 1312/4885NPC1 552/4885

“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.