SCHEMBL22916111

SCHEMBL22916111

C/C=C(\C)c1ccc(C)c2oc3cc(CCCCC)cc(O)c3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CNR1 P21554 9/20 0.41
CNR2 P34972 9/20 0.41
MAPT P10636 1/20 0.41
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
TRPA1 O75762 1/20 0.37
INHA P05111 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL25877896 0.89 ALDH1A1 (0.57) ALDH1A1HTTTP53GAATSHR
SCHEMBL13214162 0.89 ALDH1A1 (0.54) ALDH1A1HTTTP53GAATSHR
SCHEMBL29352274 0.89 ALDH1A1 (0.54) ALDH1A1HTTTP53GAATSHR
SCHEMBL25560742 0.85 ALDH1A1 (0.49) ALDH1A1HTTTP53GAATSHR
SCHEMBL29349816 0.81 ALDH1A1 (0.55) ALDH1A1HTTTP53GAATSHR
SCHEMBL13214160 0.81 ALDH1A1 (0.55) ALDH1A1HTTTP53GAATSHR
SCHEMBL16079756 0.80 ALDH1A1 (0.51) ALDH1A1HTTTP53GAATSHR
SCHEMBL25561086 0.78 ALDH1A1 (0.41) ALDH1A1HTTTP53GAATSHR
SCHEMBL23008681 0.71 ALDH1A1 (0.52) ALDH1A1HTTTP53GAATSHR
SCHEMBL17987578 0.70 ALDH1A1 (0.44) ALDH1A1HTTTP53GAATSHR

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-20210023156-A1 BIOACTIVE CONCENTRATES AND USES THEREOF PURPLE MUNDO, INC. 2021-01-28 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-20210023156-A1 BIOACTIVE CONCENTRATES AND USES THEREOF CNR2, CNR1, CDIPT ALDH1A1 3337/4885HTT 2280/4885TP53 4871/4885

“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.