SCHEMBL25329050

SCHEMBL25329050

CCCCOc1c(C)cc(O)c(CC)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ESR1 P03372 5/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
LTA4H P09960 1/20 0.35
NR5A1 Q13285 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
ALOX5 P09917 4/20 0.35
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 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
SCHEMBL25329612 0.92 PTGS1 (0.36) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25328687 0.88 NPSR1 (0.42) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25328769 0.87 ESR1 (0.38) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25328321 0.85 NPC1 (0.40) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25329779 0.84 HPGD (0.42) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25330542 0.84 ESR1 (0.41) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25329527 0.80 LTA4H (0.40) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25329825 0.79 PTGS1 (0.36) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL25328955 0.79 IMPDH2 (0.41) ESR1ALOX5ALDH1A1LMNAMAPT
SCHEMBL7607111 0.78 THRA (0.48) ESR1THRATHRBNR5A1ALOX5

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 NPSR1 3915/4885NPC1 4274/4885HPGD 282/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 NPSR1 4728/4885NPC1 2411/4885HPGD 67/4885

“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.