SCHEMBL29625680

SCHEMBL29625680

COc1ccc2ccccc2c1Cc1c(OCCO)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.47
CETP P11597 1/20 0.47
MEN1 O00255 1/20 0.47
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL24953211 1.00 MAPT (0.47) MAPTKMT2ACETPMEN1IDO1
SCHEMBL23515206 0.87 HTR1B (0.46) MAPTKMT2ACETPMEN1SMN1; SMN2
SCHEMBL30186245 0.87 HTR1B (0.46) MAPTKMT2ACETPMEN1SMN1; SMN2
SCHEMBL19766698 0.86 MAPT (0.62) MAPTKMT2ACETPMEN1SMN1; SMN2
SCHEMBL30186238 0.85 HTR1B (0.55) MAPTKMT2ACETPMEN1SMN1; SMN2
SCHEMBL23515212 0.82 CETP (0.52) MAPTKMT2ACETPMEN1POLB
SCHEMBL29209220 0.81 SLC2A1 (0.46) MAPTKMT2ACETPMEN1SMN1; SMN2
SCHEMBL28765665 0.81 NCEH1 (0.57) IDO1
SCHEMBL28765607 0.80 IDO1 (0.50) MAPTKMT2AMEN1IDO1
SCHEMBL23515386 0.80 CYP1A2 (0.71) MAPTKMT2ACETPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 US disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2022-04-26 CN 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D MAPT 2678/4885KMT2A 3777/4885CETP 1967/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D MAPT 2678/4885KMT2A 3777/4885CETP 1967/4885

“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.