SCHEMBL25328745

SCHEMBL25328745

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ELANE P08246 1/20 0.35
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CREB1 P16220 1/20 0.33
PTPN1 P18031 4/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LTA4H P09960 1/20 0.32
PTPRC P08575 3/20 0.32

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
SCHEMBL30356402 0.92 THRA (0.38) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL25328926 0.87 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDELANE
SCHEMBL10919487 0.86 ALOX15 (0.35) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL25329439 0.86 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDELANE
SCHEMBL25329419 0.85 PTGS1 (0.36) ALDH1A1MAPTKDM4EHPGDELANE
SCHEMBL10925132 0.82 HMGCR (0.38) ALDH1A1MAPTHPGDELANEPTPN1
SCHEMBL25329818 0.81 CYP3A4 (0.41) ALDH1A1ALOX15ALOX12TDP1PTGS2
SCHEMBL25327649 0.81 ALOX15 (0.39) ALDH1A1ALOX15ALOX12PTPN1
SCHEMBL25328321 0.79 NPC1 (0.40) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL25330034 0.78 THRA (0.40) ALDH1A1MAPTKMT2AMEN1LTA4H

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 1314/4885MAPT 1359/4885KDM4E 3448/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885MAPT 2405/4885KDM4E 2037/4885

“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.