SCHEMBL25825504

SCHEMBL25825504

CCCCCC(CC)NCC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.33
OPRM1 P35372 1/20 0.33
CA1 P00915 4/20 0.32
LAP3 P28838 2/20 0.31
LMNA P02545 1/20 0.31
CA2 P00918 3/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
MMP2 P08253 3/20 0.30
MMP3 P08254 3/20 0.30
MMP1 P03956 2/20 0.30
PLA2G2A P14555 1/20 0.30
MMP7 P09237 1/20 0.30

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
SCHEMBL27818797 0.78 OPRM1 (0.39) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL14198303 0.78 LMNA (0.48) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL26511932 0.78 OPRM1 (0.39) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL20016450 0.78 ALDH1A1 (0.39) FDPSCA1LMNACA2
SCHEMBL20016391 0.78 ALDH1A1 (0.39) FDPSCA1LMNACA2
SCHEMBL23686853 0.76 LMNA (0.39) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL10491044 0.76 LMNA (0.39) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL9624771 0.76 EPHX1 (0.44) FDPSOPRM1LMNAADH1BADH1C
SCHEMBL3840048 0.76 LMNA (0.41) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL28268989 0.76 LMNA (0.39) FDPSOPRM1LMNAADH1BADH1C

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 FDPS 3556/4885OPRM1 1602/4885CA1 4061/4885

“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.