SCHEMBL24010348

SCHEMBL24010348

Cn1c2ccccc2c2cccc(C(=O)O)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.56
FTO Q9C0B1 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
GPR3 P46089 1/20 0.50
EGFR P00533 3/20 0.49
FABP4 P15090 4/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SRC P12931 2/20 0.47
DHODH Q02127 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL8789423 0.89 HTT (0.49) ALKBH5FTOALDH1A1KDM4EHPGD
SCHEMBL70779 0.87 NR4A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10FABP4
SCHEMBL11643567 0.86 ALKBH5 (0.56) ALKBH5FTOALDH1A1KDM4EHPGD
SCHEMBL20595409 0.79 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29613078 0.77 CNR2 (0.55) ALDH1A1HPGDFABP4FABP5
SCHEMBL9810804 0.77 ALKBH5 (0.46) ALKBH5FTOALDH1A1KDM4EHPGD
SCHEMBL27890323 0.77 ALKBH5 (0.46) ALKBH5FTOALDH1A1KDM4EHPGD
Bicarbonate SCHEMBL9678990 0.77 GPR3 (0.76) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL21043614 0.76 EGFR (0.57) ALKBH5FTOALDH1A1KDM4EHPGD
SCHEMBL24010360 0.75 TSHR (0.59) ALKBH5FTOALDH1A1KDM4EHPGD

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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPN1, CAPNS1, CAPN2 ALKBH5 3911/4885FTO 4081/4885ALDH1A1 4092/4885

“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.