SCHEMBL24775002

SCHEMBL24775002

COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
AR P10275 2/20 0.40
MAPK1 P28482 1/20 0.39
TRPV3 Q8NET8 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1783530 0.86 IKBKE (0.41) IKBKETBK1NPC1ALDH1A1POLB
SCHEMBL16070840 0.85 HDAC1 (0.40) TBK1ARALDH1A1TSHRHSD17B10
SCHEMBL25953850 0.84 SLC6A3 (0.44) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL15778750 0.84 SLC6A3 (0.44) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL25422162 0.83 ALDH1A1 (0.42) IKBKETBK1ALDH1A1POLBSMN1; SMN2
SCHEMBL13544329 0.82 ACMSD (0.45) ALDH1A1TSHRSMN1; SMN2HSD17B10KDM4E
SCHEMBL3903392 0.80 ACMSD (0.47) ALDH1A1TSHRSMN1; SMN2HSD17B10KDM4E
SCHEMBL3496971 0.79 RAB9A (0.49) NPC1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL16070837 0.78 PDE4A (0.44) IKBKETBK1ARALDH1A1TSHR
SCHEMBL31584022 0.78 TLR9 (0.50)

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 IKBKE 123/4885TBK1 2565/4885AR 2899/4885

“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.