SCHEMBL24607232

SCHEMBL24607232

CC(C)NCCC#CCCNC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SPR P35270 1/20 0.31
POLB P06746 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL25815760 0.93 KMT2A (0.36) KMT2ACYP2C19CYP2D6CYP2C9ERCC1
SCHEMBL25109180 0.92 CYP2D6 (0.38) KMT2ACYP2C19CYP2D6CYP2C9ERCC1
SCHEMBL25877047 0.84 KMT2A (0.35) KMT2ACYP2C19CYP2D6CYP2C9DPP4
SCHEMBL12438066 0.81 USP2 (0.44) KMT2ACYP2C19CYP2D6CYP2C9ERCC1
SCHEMBL23568357 0.79 KMT2A (0.37) KMT2ACYP2C19CYP2D6CYP2C9ERCC1
SCHEMBL12156457 0.78 EPHX2 (0.49) KMT2ACYP2C19CYP2D6CYP2C9USP2
SCHEMBL20346222 0.78 KMT2A (0.49) KMT2ACYP2C19CYP2D6CYP2C9TSHR
SCHEMBL22305755 0.76 ALDH1A1 (0.48) KMT2ACYP2C19CYP2D6CYP2C9MAPK1
SCHEMBL22837663 0.76 ALDH1A1 (0.48) KMT2ACYP2C19CYP2D6CYP2C9MAPK1
SCHEMBL21106783 0.76 ALDH1A1 (0.48) KMT2ACYP2C19CYP2D6CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194457-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co., Ltd. (CN) 2023-06-14 EP disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 US disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO 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-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 KMT2A 380/4885CYP2C19 4633/4885CYP2D6 4577/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMT2A 445/4885CYP2C19 3990/4885CYP2D6 3599/4885

“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.