SCHEMBL26085404

SCHEMBL26085404

C=C(CCCn1cccn1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
FDPS P14324 1/20 0.37
LMNA P02545 4/20 0.36
THRB P10828 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL22572030 0.80 LMNA (0.40) L3MBTL1FDPSLMNATHRBPSEN1
SCHEMBL23219815 0.77 FDPS (0.36) L3MBTL1FDPSLMNATHRBTSHR
SCHEMBL21996470 0.74 THRB (0.43) FDPSLMNATHRBTSHRALDH1A1
SCHEMBL7100687 0.73 DAO (0.43) L3MBTL1FDPSTHRBTSHRALDH1A1
SCHEMBL439752 0.73 L3MBTL1 (0.49) L3MBTL1FDPSLMNAPSEN1PSEN2
SCHEMBL13101018 0.72 LMNA (0.45) L3MBTL1FDPSLMNATHRBTSHR
SCHEMBL796651 0.72
SCHEMBL3489062 0.72 TBXAS1 (0.42) FDPSLMNATHRBTSHRKMT2A
SCHEMBL4797270 0.72 LMNA (0.41) FDPSLMNATHRBALDH1A1KMT2A
SCHEMBL438475 0.72 L3MBTL1 (0.48) L3MBTL1FDPSLMNAPSEN1PSEN2

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 L3MBTL1 616/4885FDPS 3576/4885LMNA 1458/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 L3MBTL1 616/4885FDPS 3576/4885LMNA 1458/4885

“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.