SCHEMBL25329015

SCHEMBL25329015

CCc1c(OCC(C)C)cc(C)c(O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
HIF1A Q16665 1/20 0.33
PDE4B Q07343 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
TLR8 Q9NR97 1/20 0.31
ALOX5 P09917 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ACHE P22303 1/20 0.31
MYC P01106 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
SCHEMBL25327997 0.89 ALDH1A1 (0.37) ALDH1A1GAATP53CACNA1GCACNA1H
SCHEMBL30356490 0.89 ALDH1A1 (0.37) ALDH1A1GAATP53CACNA1GCACNA1H
SCHEMBL25328347 0.86 CACNA1G (0.40) ALDH1A1GAATP53CACNA1GCACNA1H
SCHEMBL25328287 0.83 ALDH1A1 (0.43) ALDH1A1GAATP53HIF1APDE4B
SCHEMBL30356497 0.83 TSHR (0.38) ALDH1A1TP53PDE4BMAPTESR1
SCHEMBL25328611 0.80 PTGS1 (0.42) ALDH1A1GAATP53MAPTADRA1D
SCHEMBL25328064 0.80 ESR1 (0.32) ALDH1A1ADRA1DADRA1AADRA1BALOX5
SCHEMBL25329401 0.79 ESR1 (0.44) TP53ALOX5ESR1
SCHEMBL25331374 0.78 ALOX5 (0.40) ALDH1A1MAPTALOX5ESR1ESR2
SCHEMBL25327617 0.77 CACNA1G (0.40) ALDH1A1GAATP53CACNA1GCACNA1H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP 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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ALDH1A1 1314/4885GAA 180/4885TP53 2223/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885GAA 3196/4885TP53 4081/4885

“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.