SCHEMBL25329419

SCHEMBL25329419

CCCOc1c(C)cc(O)c(C)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR1A P08908 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LTA4H P09960 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CREB1 P16220 1/20 0.32
HPGD P15428 4/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL25328769 0.92 ESR1 (0.38) ALDH1A1MAPTHTTLMNATHRA
SCHEMBL25329825 0.88 PTGS1 (0.36) PTGS1PTGS2ELANEALDH1A1MAPT
SCHEMBL25329612 0.86 PTGS1 (0.36) PTGS1PTGS2ELANEALDH1A1MAPT
SCHEMBL25329103 0.86 ALDH1A1 (0.42) ALDH1A1MAPTTDP1THRBGAA
SCHEMBL25328745 0.85 ALDH1A1 (0.35) PTGS1PTGS2ELANEALDH1A1MAPT
SCHEMBL25328681 0.84 PTGS1 (0.38) PTGS1PTGS2ELANEALDH1A1MAPT
SCHEMBL25328225 0.80 CYP3A4 (0.42) PTGS2ALDH1A1MAPTTDP1ESR1
SCHEMBL25329922 0.80 SCN5A (0.40) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL25328687 0.79 NPSR1 (0.42) ALDH1A1MAPTHTTLMNATHRA
SCHEMBL25329050 0.78 NPSR1 (0.41) ALDH1A1MAPTHTTLMNATHRA

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
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN 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 PTGS1 474/4885PTGS2 594/4885HTR1A 4464/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 PTGS1 1/4885PTGS2 8/4885HTR1A 659/4885

“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.