SCHEMBL23640402

SCHEMBL23640402

CCCCCCC(CCCC)COCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
PLA2G2C Q5R387 2/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
SOAT1 P35610 2/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TLR2 O60603 3/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11134722 0.89 CYP3A4 (0.60) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL23640099 0.87 SOAT1 (0.42) CYP3A4PLA2G2CCYP1A2CYP2C19SOAT1
SCHEMBL27000266 0.81 PLA2G2C (0.44) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL5472138 0.80 CYP3A4 (0.55) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL29044598 0.79 PLA2G2C (0.56) PLA2G2CMEN1KMT2ATSHRTDP1
SCHEMBL5472374 0.79 CYP3A4 (0.58) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL5478153 0.79 CYP3A4 (0.58) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL21207649 0.79 SOAT1 (0.53) CYP3A4CYP1A2CYP2C19SOAT1MEN1
SCHEMBL5476832 0.79 CYP3A4 (0.58) CYP3A4PLA2G2CMMP9MMP8MMP14
SCHEMBL11080985 0.79 SOAT1 (0.53) CYP3A4CYP1A2CYP2C19SOAT1MEN1

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-20210214316-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2021-07-15 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-20210214316-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NCOA1, NCOR1, NCOA3 CYP3A4 3382/4885PLA2G2C 3099/4885MMP9 3584/4885

“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.