SCHEMBL21556072

SCHEMBL21556072

CC(=O)CCc1ccc2cc(O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
MAOA P21397 1/20 0.66
SLC6A2 P23975 1/20 0.66
RAB9A P51151 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HCAR2 Q8TDS4 8/20 0.52
ALDH1A1 P00352 2/20 0.48
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALOX5 P09917 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL15445002 0.84 CYP1A2 (0.68) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL29921611 0.84 HCAR2 (0.57) CYP1A2HCAR2
SCHEMBL151952 0.84 HCAR2 (0.57) CYP1A2HCAR2
SCHEMBL5236795 0.84 CYP1A2 (0.68) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL4548489 0.82 HCAR2 (0.52) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL20323255 0.82 CYP1A2 (0.66) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL5692811 0.81 ALOX5 (0.51) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL4548368 0.81 LMNA (0.53) CYP1A2KDM4ELMNASMN1; SMN2NPC1
SCHEMBL2615110 0.81 CYP1A2 (0.64) CYP1A2KDM4ELMNASMN1; SMN2NPC1
Raspberryketone SCHEMBL43308 0.81 ALDH1A1 (0.65) CYP1A2KDM4ELMNASMN1; SMN2NPC1

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-10471025-B2 Compositions for use in treating parkinson's disease and related disorders TECHNOPHAGE, INVESTIGACAO E DESENVOLVIMENTO EM BIOTECNOLOGIA, SA 2019-11-12 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-10471025-B2 Compositions for use in treating parkinson's disease and related disorders PARK7, SLC6A3, SNCA CYP1A2 3734/4885KDM4E 2147/4885LMNA 2600/4885

“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.