SCHEMBL25328151

SCHEMBL25328151

CCCOc1cc(C)c(O)c(CC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ ELANE P08246 2/20 0.43
▸ LTA4H P09960 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SLC5A1 P13866 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35

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
SCHEMBL30356527 1.00 PTGS1 (0.50) PTGS1PTGS2ELANELTA4HMCL1
SCHEMBL25329512 0.91 ESR1 (0.49) PTGS1PTGS2LTA4HESR1KMT2A
SCHEMBL25329716 0.89 LTA4H (0.46) PTGS1PTGS2ELANELTA4HKMT2A
SCHEMBL25329373 0.87 PTGS1 (0.62) PTGS1PTGS2ELANELTA4HMCL1
SCHEMBL28974941 0.86 ESR1 (0.51) PTGS1PTGS2LTA4HESR1KMT2A
SCHEMBL30356462 0.85 NQO1 (0.38) PTGS1PTGS2LTA4HMCL1ESR1
SCHEMBL25328398 0.85 NQO1 (0.38) PTGS1PTGS2LTA4HMCL1ESR1
SCHEMBL25329217 0.79 LTA4H (0.48) LTA4HESR1KMT2AL3MBTL1PLA2G2A
SCHEMBL16546632 0.79 CYP3A4 (0.49) PTGS1PTGS2ESR1KMT2AL3MBTL1
SCHEMBL25329864 0.79 ALDH1A1 (0.36) THRATHRBL3MBTL1LMNA

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 2 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

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 594/4885ELANE 1165/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 PTGS1 1/4885PTGS2 8/4885ELANE 1423/4885

“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.

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