SCHEMBL25329005

SCHEMBL25329005

CCc1cc(O)c(C)cc1OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.35
ESR2 Q92731 5/20 0.35
AR P10275 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR6 P51684 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25329859 0.85 ESR1 (0.39) ESR1ESR2ALOX15ALOX12KDM4E
SCHEMBL30356491 0.79 TAAR1 (0.48) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL25329569 0.79 ALDH1A1 (0.44) ESR1ESR2ARALOX15ALOX12
SCHEMBL25328873 0.79 MCL1 (0.38) ESR1ESR2ALOX15ALDH1A1MAPT
SCHEMBL25329214 0.78 ESR1 (0.44) ESR1ALOX15ALOX12KDM4EALDH1A1
SCHEMBL16736924 0.75 ALOX15 (0.43) ESR1ALOX15ALOX12KDM4EALDH1A1
SCHEMBL25329688 0.75 ESR1 (0.40) ESR1KDM4EALDH1A1MAPTHPGD
SCHEMBL6151944 0.74 ALOX15 (0.52) ESR1ESR2ARALOX15ALOX12
SCHEMBL25328003 0.74 ESR1 (0.49) ESR1ELANE
SCHEMBL25329513 0.72 ALOX15 (0.41) ESR1ALOX15ALOX12ALDH1A1MAPT

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 ESR1 3959/4885ESR2 4020/4885AR 4534/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885ESR2 1987/4885AR 2039/4885

“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.