SCHEMBL23943247

SCHEMBL23943247

Cc1c(C)c(C(C)C)c(C(C)C)c(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.35
LDHB P07195 3/20 0.35
BCL2 P10415 3/20 0.34
MCL1 Q07820 3/20 0.34
ALB P02768 6/20 0.32
BCL2L1 Q07817 2/20 0.32
BCL2L2 Q92843 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL19183569 0.89 BCL2 (0.32) LDHALDHBBCL2MCL1BCL2L1
SCHEMBL14201680 0.89 LDHA (0.35) LDHALDHBBCL2MCL1ALB
SCHEMBL19972877 0.80 BCL2 (0.33) LDHALDHBBCL2MCL1BCL2L1
SCHEMBL19998507 0.78 LDHA (0.37) LDHALDHBBCL2MCL1ALB
SCHEMBL5589113 0.78 LDHA (0.37) LDHALDHBBCL2MCL1ALB
SCHEMBL11813554 0.78 BCL2 (0.32) LDHALDHBBCL2MCL1BCL2L1
SCHEMBL5526052 0.77 BCL2 (0.34) LDHALDHBBCL2MCL1ALB
SCHEMBL9070220 0.77 BCL2 (0.34) LDHALDHBBCL2MCL1ALB
SCHEMBL1242989 0.76 BCL2 (0.35) LDHALDHBBCL2MCL1ALB
SCHEMBL1760594 0.75 GABRA1 (0.38) LDHALDHBBCL2MCL1ALB

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-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors UAB RESEARCH FOUNDATION (US) 2022-11-22 US disclosed
US-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION (US) 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-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS TGFBR2, SMAD2, TGFB2 LDHA 4283/4885LDHB 3873/4885BCL2 199/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 LDHA 4283/4885LDHB 3873/4885BCL2 199/4885

“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.