SCHEMBL25328873

SCHEMBL25328873

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 3/20 0.37
HMGCR P04035 1/20 0.37
SHBG P04278 1/20 0.36
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
VDR P11473 1/20 0.33
GABRA1 P14867 1/20 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
SCHEMBL28974922 0.86 HMGCR (0.54) ESR1ESR2HMGCRMEN1ALDH1A1
SCHEMBL25329859 0.85 ESR1 (0.39) MCL1ESR1ESR2HMGCRNR1H4
SCHEMBL30356445 0.79 HMGCR (0.53) MCL1HMGCRMEN1ALDH1A1KMT2A
SCHEMBL785200 0.79 HMGCR (0.53) MCL1HMGCRMEN1ALDH1A1KMT2A
SCHEMBL25329569 0.79 ALDH1A1 (0.44) ESR1ESR2ALDH1A1LMNAMAPT
SCHEMBL25329005 0.79 ESR1 (0.35) MCL1ESR1ESR2ALDH1A1MAPT
SCHEMBL25329894 0.78 ESR1 (0.44) MCL1ESR1HMGCRSHBGMEN1
SCHEMBL25329202 0.75 GABRA1 (0.36) ESR1ESR2HMGCRALDH1A1SMN1; SMN2
SCHEMBL25329656 0.75 ALOX15 (0.39) MCL1HMGCRSHBGALDH1A1ALOX15
SCHEMBL28974846 0.75 LMNA (0.41) MCL1ESR1HMGCRALDH1A1LMNA

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 MCL1 2401/4885ESR1 3959/4885ESR2 4020/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 MCL1 1346/4885ESR1 2282/4885ESR2 1987/4885

“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.