SCHEMBL21536089

SCHEMBL21536089

CC(C)c1cccc2nn(C3COC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 5/20 0.39
ALDH1A1 P00352 5/20 0.39
ALDH1A3 P47895 5/20 0.39
KDM5A P29375 1/20 0.36
MPO P05164 1/20 0.33
JAK1 P23458 3/20 0.32
OGA O60502 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.32
PTPN11 Q06124 1/20 0.32
ELANE P08246 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KRAS P01116 2/20 0.31
SOS1 Q07889 2/20 0.31

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
SCHEMBL29304924 0.81 ALDH1A1 (0.39) ALDH1A2ALDH1A1ALDH1A3KDM5AMPO
SCHEMBL29303864 0.80 ALDH1A2 (0.37) ALDH1A2ALDH1A1ALDH1A3KDM5AMPO
SCHEMBL29303422 0.78 HDAC8 (0.34) ALDH1A2ALDH1A1ALDH1A3MPOPTPN11
SCHEMBL29303858 0.78 ALDH1A2 (0.36) ALDH1A2ALDH1A1ALDH1A3KDM5A
SCHEMBL21536493 0.77 ALDH1A1 (0.36) ALDH1A2ALDH1A1ALDH1A3KDM5AMPO
SCHEMBL21536088 0.77 ALDH1A1 (0.36) ALDH1A2ALDH1A1ALDH1A3USP1WDR48
SCHEMBL29303239 0.76 KDM5A (0.38) ALDH1A2ALDH1A1ALDH1A3KDM5A
SCHEMBL24837078 0.72 ALDH1A2 (0.33) ALDH1A2ALDH1A1ALDH1A3KDM5AUSP1
SCHEMBL15341892 0.72 GABRA1 (0.38) ALDH1A1MPO
SCHEMBL21536090 0.71 PDE1B (0.38) KDM5AUSP1WDR48SOS1

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (3 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A2 138/4885ALDH1A1 656/4885ALDH1A3 379/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 ALDH1A2 4358/4885ALDH1A1 3389/4885ALDH1A3 4398/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A2 138/4885ALDH1A1 656/4885ALDH1A3 379/4885

“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.