SCHEMBL29300313

SCHEMBL29300313

CC(C)C(=O)N1C=Cc2ccccc2C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
BRD4 O60885 1/20 0.40
CCL2 P13500 1/20 0.40
P2RX4 Q99571 2/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 4/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL9386548 0.80 ATM (0.67) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL29296653 0.78 ATM (0.43) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL6372301 0.77 ATM (0.46) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL28128981 0.75 BRD4 (0.41) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL11155913 0.72 BRD4 (0.49) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL24017022 0.70 ALDH1A1 (0.49) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL7570833 0.70 BRD4 (0.42) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL14156129 0.69 ATM (0.47) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL23464696 0.65 ALDH1A1 (0.40) ATMALDH1A1MAPTBRD4CCL2
SCHEMBL11285300 0.65 ATM (0.72) ATMALDH1A1MAPTBRD4CCL2

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ATM 236/4885ALDH1A1 2917/4885MAPT 2968/4885

“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.