SCHEMBL25329446

SCHEMBL25329446

CCCCOc1cc(C)c(O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
LTA4H P09960 4/20 0.50
NR5A1 Q13285 1/20 0.50
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
PLA2G2A P14555 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL14015792 0.92 ESR1 (0.58) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL28974941 0.89 ESR1 (0.51) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL25329373 0.89 PTGS1 (0.62) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL13522247 0.89 PTGS1 (0.47) ESR1PTGS1PTGS2THRATHRB
SCHEMBL25329512 0.87 ESR1 (0.49) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL11761266 0.86 PTGS1 (0.44) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL11761272 0.86 PTGS1 (0.44) ESR1PTGS1PTGS2LTA4HNR5A1
SCHEMBL8462273 0.83 TP53 (0.46) ESR1PTGS1PTGS2ALDH1A1GAA
SCHEMBL8463237 0.81 CA1 (0.48) ESR1PTGS1PTGS2THRBALDH1A1
SCHEMBL25797427 0.81 THRB (0.51) ESR1LTA4HNR5A1THRATHRB

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 4 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
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 ESR1 3959/4885PTGS1 474/4885PTGS2 594/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885PTGS1 1/4885PTGS2 8/4885

“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.