SCHEMBL25329935

SCHEMBL25329935

CCOc1cc(CC)c(O)c(CC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AOC3 Q16853 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MITF O75030 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 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
SCHEMBL25329229 0.87 KDM4E (0.38) KDM4ETSHRCYP3A4PDE3BPDE3A
SCHEMBL25328532 0.87 TSHR (0.41) KDM4ETSHRCYP3A4ALDH1A1MAPT
SCHEMBL25328417 0.86 MAPT (0.42) KDM4EALDH1A1MAPTL3MBTL1HSD17B10
SCHEMBL25329764 0.84 ESR1 (0.41) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL30356482 0.83 FASN (0.45) CYP3A4PDE3BPDE3A
SCHEMBL25329730 0.83 KDM4E (0.38) KDM4ETSHRCYP3A4PDE3BPDE3A
SCHEMBL25327617 0.83 CACNA1G (0.40) TSHRALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL25329540 0.79 ALDH1A1 (0.40) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL25328567 0.79 GABRA1 (0.35) KDM4EALDH1A1HSD17B10SMN1; SMN2GABRA1
SCHEMBL28974999 0.76 CYP3A4 (0.40) KDM4ECYP3A4PDE3BPDE3AMAPT

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 KDM4E 3448/4885TSHR 4882/4885CYP3A4 2975/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 KDM4E 2037/4885TSHR 4664/4885CYP3A4 1439/4885

“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.