SCHEMBL25329017

SCHEMBL25329017

CCc1c(C)c(OC(C)C)cc(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EZH2 Q15910 2/20 0.34
EED O75530 2/20 0.34
RBBP4 Q09028 2/20 0.34
SUZ12 Q15022 2/20 0.34
AEBP2 Q6ZN18 2/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
BRPF1 P55201 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL25329722 0.89 CSNK2A1 (0.33) ALDH1A1TSHRIDO1TDO2ESR1
SCHEMBL25328064 0.88 ESR1 (0.32) ALDH1A1TSHRIDO1TDO2EZH2
SCHEMBL25329540 0.84 ALDH1A1 (0.40) ALDH1A1TSHRIDO1TDO2EZH2
SCHEMBL25330911 0.81 CA1 (0.36) ALDH1A1IDO1TDO2MAPTMAPK1
SCHEMBL25329804 0.79 FASN (0.42) ALDH1A1IDO1ESR1ESR2MAPT
SCHEMBL25327997 0.79 ALDH1A1 (0.37) ALDH1A1ESR1ESR2MAPT
SCHEMBL29595577 0.79 ACHE (0.45) ALDH1A1ESR1MAPTMAPK1
SCHEMBL25329730 0.78 KDM4E (0.38) ALDH1A1TSHRESR1ESR2MAPT
SCHEMBL25328938 0.75 PTGS1 (0.43) ALDH1A1TSHRESR1ESR2MAPT
SCHEMBL25329749 0.75 ESR1 (0.37) ESR1ESR2CA1CA2

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 1314/4885TSHR 4882/4885IDO1 1989/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885TSHR 4664/4885IDO1 2867/4885

“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.