SCHEMBL25328958

SCHEMBL25328958

CCOc1cc(CC)c(O)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HMGCR P04035 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.39
ALOX12 P18054 1/20 0.39
TOP2A P11388 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11022500 0.88 ALDH1A1 (0.49) ALDH1A1LTB4RLTB4R2TSHRCYP3A4
SCHEMBL25328725 0.84 HMGCR (0.43) ALDH1A1LTB4RLTB4R2HMGCRMAPT
SCHEMBL25329894 0.84 ESR1 (0.44) ALDH1A1TSHRCYP3A4HMGCRMAPT
SCHEMBL25329214 0.84 ESR1 (0.44) ALDH1A1LTB4RLTB4R2TSHRCYP3A4
SCHEMBL25329490 0.82 NR1H4 (0.44) LTB4RLTB4R2HMGCRNR1H4
SCHEMBL23326179 0.82 TSHR (0.50) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL25330210 0.81 ALOX15 (0.43) ALDH1A1LTB4RLTB4R2HMGCRMAPT
SCHEMBL30356364 0.81 HMGCR (0.57) CYP3A4HMGCRMEN1KMT2AALOX15
SCHEMBL1760478 0.79 ALOX15 (0.54) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4472996 0.79 TSHR (0.46) ALDH1A1TSHRCYP3A4HMGCRMAPT

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 1314/4885LTB4R 2433/4885LTB4R2 2600/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885LTB4R 189/4885LTB4R2 173/4885

“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.