SCHEMBL25329569

SCHEMBL25329569

Cc1cc(OC(C)(C)C)c(C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 3/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
G6PD P11413 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 5/20 0.39
TP53 P04637 3/20 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
SCHEMBL13475560 0.86 TSHR (0.34) MAPTKDM4ETSHR
SCHEMBL16748377 0.81 KDM4E (0.43) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL16736803 0.79 ACHE (0.44) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL25329005 0.79 ESR1 (0.35) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL25328873 0.79 MCL1 (0.38) ALDH1A1ALOX15MAPK1MAPTHPGD
SCHEMBL16736742 0.79 LMNA (0.55) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL29582135 0.79
SCHEMBL6013924 0.77 KDM4E (0.52) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL16736722 0.76 ESR1 (0.35) ALDH1A1CYP3A4ALOX15MAPK1HIF1A
SCHEMBL28974922 0.76 HMGCR (0.54) ALDH1A1ALOX15HIF1AMAPTHPGD

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 ALDH1A1 1314/4885CYP3A4 2975/4885ALOX15 2186/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885CYP3A4 1439/4885ALOX15 615/4885

“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.