SCHEMBL25329656

SCHEMBL25329656

CCc1cc(OC(C)C)c(C)cc1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HMGCR P04035 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
LTB4R Q15722 1/20 0.36
SHBG P04278 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL25329390 0.85 ALOX15 (0.46) ALOX15ALOX12MCL1ALDH1A1TSHR
SCHEMBL16736937 0.81 RXRA (0.41) ALOX15ALOX12ALDH1A1TSHRIDO1
SCHEMBL30356445 0.79 HMGCR (0.53) MCL1ALDH1A1HMGCRTAAR1
SCHEMBL785200 0.79 HMGCR (0.53) MCL1ALDH1A1HMGCRTAAR1
SCHEMBL25329407 0.79 ALDH1A1 (0.40) ALOX15ALOX12MCL1ALDH1A1HMGCR
SCHEMBL25329769 0.79 MAPT (0.44) ALOX15ALOX12ALDH1A1TSHRIDO1
SCHEMBL16736924 0.79 ALOX15 (0.43) ALOX15ALOX12ALDH1A1TSHRIDO1
SCHEMBL15576314 0.79 RXRA (0.36) ALDH1A1TSHRFFAR4FFAR1TAAR1
SCHEMBL25329894 0.78 ESR1 (0.44) ALOX15MCL1ALDH1A1TSHRHMGCR
SCHEMBL16736894 0.76 HTR2A (0.35) ALOX15ALOX12ALDH1A1TSHRIDO1

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 ALOX15 2186/4885ALOX12 1986/4885MCL1 2401/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALOX15 615/4885ALOX12 211/4885MCL1 1346/4885

“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.