SCHEMBL29596271

SCHEMBL29596271

CN1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
ROCK1 Q13464 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PRF1 P14222 1/20 0.38
BACE1 P56817 5/20 0.38
LPL P06858 5/20 0.37
LIPG Q9Y5X9 5/20 0.37
CSF1R P07333 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL2041419 1.00 DDB1 (0.42) DDB1CRBNROCK1PRMT5WDR77
SCHEMBL299395 0.89 ROCK1 (0.40) DDB1CRBNROCK1PRMT5WDR77
SCHEMBL30015969 0.86 MEN1 (0.43) DDB1CRBNPRF1BACE1
SCHEMBL2043461 0.86 MEN1 (0.43) DDB1CRBNPRF1BACE1
SCHEMBL29339005 0.82 ROCK1 (0.41) ROCK1PRMT5WDR77PRF1BACE1
SCHEMBL19049768 0.82 BACE1 (0.43) ROCK1PRMT5WDR77BACE1LPL
SCHEMBL19049758 0.81 CRBN (0.39) CRBNROCK1PRMT5WDR77BACE1
SCHEMBL28768478 0.81 PRMT5 (0.39) ROCK1PRMT5WDR77BACE1LPL
SCHEMBL29556302 0.81 PRMT5 (0.39) ROCK1PRMT5WDR77BACE1LPL
SCHEMBL19049793 0.80 ROCK1 (0.38) ROCK1PRMT5WDR77BACE1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4489863-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics, Inc. (US) 2025-01-15 EP disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2023172846-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2023-09-14 WO disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
CN-114555588-A Quinazolines as AXL inhibitors 南京正大天晴制药有限公司 2022-05-27 CN disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 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-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 DDB1 4363/4885CRBN 2050/4885ROCK1 1132/4885

“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.