SCHEMBL25204166

SCHEMBL25204166

O=C(O)NCC1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
EPHX1 P07099 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 2/20 0.33
CTSL P07711 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 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
SCHEMBL13885785 0.86 KMT2A (0.41) TDP1ALDH1A1KMT2ACYP3A4MAPK1
SCHEMBL3169082 0.77 TDP1 (0.37) TDP1ALDH1A1KMT2ACYP3A4MAPK1
SCHEMBL217411 0.76
SCHEMBL4396572 0.76 CYP2D6 (0.63) CYP2D6TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL4396576 0.76 CYP2D6 (0.63) CYP2D6TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL2596648 0.76 CYP2D6 (0.50) CYP2D6TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL2596646 0.76 CYP2D6 (0.50) CYP2D6TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL306555 0.76 CYP2D6 (0.50) CYP2D6TDP1EPHX1
SCHEMBL2450101 0.76 FFAR4 (0.39) TDP1ALDH1A1MAPK1POLBGPR119
SCHEMBL9956855 0.75 CYP2D6 (0.53) CYP2D6TDP1ALDH1A1POLBEPHX1

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 CYP2D6 3553/4885TDP1 2571/4885ALDH1A1 3019/4885

“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.