SCHEMBL25602001

SCHEMBL25602001

CCCCOc1cc(C(C(=O)OCC)C(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.48
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 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
SCHEMBL20294763 0.88 SMPD1 (0.39) SMPD1TP53NPSR1MAPK1SMN1; SMN2
SCHEMBL25626884 0.88 SMPD1 (0.39) SMPD1TP53MAPK1SMN1; SMN2MEN1
SCHEMBL25594025 0.86 SMPD1 (0.56) SMPD1TP53TSHRTDP1ALDH1A1
SCHEMBL21421699 0.84 SMPD1 (0.37) SMPD1SMN1; SMN2ALDH1A1THRB
SCHEMBL21404958 0.83 VHL (0.37) TP53TSHRMAPK1SMN1; SMN2CYP1A2
SCHEMBL21421663 0.82 THRB (0.33) SMPD1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL25930332 0.81 HDAC3 (0.35) SMPD1TP53TSHRNPSR1CYP1A2
SCHEMBL19600791 0.80 GAA (0.36) SMPD1TP53TSHRNPSR1CYP1A2
SCHEMBL25603625 0.80 PPARA (0.41) TP53MEN1KMT2AALDH1A1THRB
SCHEMBL27151955 0.80 SMPD1 (0.39) SMPD1TP53MAPK1SMN1; SMN2CYP1A2

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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 SMPD1 1813/4885TP53 350/4885TSHR 4388/4885

“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.