SCHEMBL4215607

SCHEMBL4215607

CC(C)c1cc(C2C=CC(c3ccc(O)cc3)CC2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.36
HSP90AB1 P08238 6/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ESR2 Q92731 5/20 0.35
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
QDPR P09417 2/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4227447 0.87 RORC (0.44) ESR2LMNACHRM1SLC6A2ADRA1A
SCHEMBL2721520 0.81 RORC (0.34) ESR2
SCHEMBL3817531 0.81 ESR2 (0.53) ESR2QDPR
SCHEMBL3815754 0.81 ESR2 (0.53) ESR2QDPR
SCHEMBL2720153 0.81 ESR2 (0.53) ESR2QDPR
SCHEMBL2717120 0.79 ESR1 (0.35) ESR2
SCHEMBL2718024 0.79 GABRA1 (0.38) HSP90AA1HSP90AB1GABRA1GABRB2ESR2
SCHEMBL2718567 0.79 ESR2 (0.41) ESR2ALDH1A1GAA
Ethane SCHEMBL27764847 0.77 ESR2 (0.48) ESR2LMNAALDH1A1GAA
SCHEMBL2720135 0.77 ESR2 (0.48) ESR2LMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US 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 (1 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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 HSP90AA1 1346/4885HSP90AB1 1696/4885GABRA1 2535/4885

“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.