SCHEMBL23946207

SCHEMBL23946207

COCc1cc2nccc(C(=O)OC)c2nc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CB P42338 1/20 0.40
PIK3CA P42336 1/20 0.40
OPRK1 P41145 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL29948104 0.77 PIK3CA (0.45) ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6
SCHEMBL21997022 0.77 PIK3CA (0.45) ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6
SCHEMBL24532867 0.70 MAPT (0.58) ALDH1A1KDM4ETDP1PIK3CBPIK3CA
SCHEMBL16105029 0.69 OPRK1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24532427 0.69 MAPT (0.45) ALDH1A1KDM4EPIK3CAKMT2AMEN1
SCHEMBL18919613 0.68 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24532676 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL29681142 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL18395107 0.68 SCN10A (0.56) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24532253 0.67 MAPT (0.54) ALDH1A1KDM4ECYP1A2CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885

“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.