SCHEMBL25935382

SCHEMBL25935382

Cc1ccc(-c2ccc(N3CCC4(CC3)CC(N3CCC(NC(=O)OCc5ccccc5)CC3)C4)c(F)c2)c(OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.41
FFAR4 Q5NUL3 3/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 3/20 0.38
EPHX1 P07099 1/20 0.36
ROCK2 O75116 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 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
SCHEMBL30136109 0.93 DPP4 (0.37) SMPD3FFAR4CNR1CNR2EPHX1
SCHEMBL25935332 0.87 ROCK2 (0.38) SMPD3FFAR4CNR1CNR2EPHX1
SCHEMBL25819445 0.87 ROCK2 (0.38) SMPD3FFAR4CNR1CNR2EPHX1
SCHEMBL25819587 0.84 CKS1B (0.43) SMPD3FFAR4CNR1CNR2KMT2A
SCHEMBL25935573 0.84 CKS1B (0.43) SMPD3FFAR4CNR1CNR2KMT2A
SCHEMBL25935098 0.83 SMPD3 (0.44) SMPD3FFAR4CNR1CNR2EPHX1
SCHEMBL25819621 0.83 SMPD3 (0.40) SMPD3FFAR4CNR1CNR2ROCK2
SCHEMBL25819407 0.83 FFAR4 (0.42) FFAR4CNR1CNR2
SCHEMBL25819403 0.81 FFAR4 (0.42) FFAR4CNR1
SCHEMBL30135876 0.80 ROCK2 (0.36) SMPD3FFAR4EPHX1ROCK2CTSL

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-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 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-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 SMPD3 2127/4885FFAR4 4754/4885CNR1 4569/4885

“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.