SCHEMBL29317003

SCHEMBL29317003

CC(C)(C)c1ccc2oc3ccc(CC(C)(C)c4cccc5c4oc4ccccc45)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GGPS1 O95749 1/20 0.36
PON1 P27169 1/20 0.36
PDE10A Q9Y233 9/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CYP3A4 P08684 1/20 0.33
KIF11 P52732 1/20 0.33
PDE4D Q08499 1/20 0.32

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
SCHEMBL19866512 0.95 MEN1 (0.37) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL22260596 0.88 CYP2C19 (0.33) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL22914859 0.83 MEN1 (0.41) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL22939800 0.83 CYP1A2 (0.44) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL25673681 0.82 CYP1A2 (0.41) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL23917788 0.81 MEN1 (0.39) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL22862817 0.81 MEN1 (0.39) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL24434258 0.81 MEN1 (0.38) CYP2C19MEN1KMT2AGGPS1
SCHEMBL21084789 0.81 NPC1 (0.41) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL24272477 0.80 PON1 (0.33) ALDH1A1MAPTPON1

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-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 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-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC CYP2C19 206/4885CYP1A2 369/4885CYP2D6 614/4885

“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.