SCHEMBL21807989

SCHEMBL21807989

O=C1CC(O)C=C1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 1/20 0.37
TK1 P04183 8/20 0.36
ELANE P08246 1/20 0.35
SLC6A1 P30531 1/20 0.34
TK2 O00142 7/20 0.33
DUT P33316 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21808098 1.00 CYP2C9 (0.37) CYP2C9ALOX15TSHRCYP2C19KIF11
SCHEMBL21807990 0.79 ELANE (0.36) CYP2C9ALOX15TSHRCYP2C19KIF11
SCHEMBL9621772 0.71 MAOA (0.41) CYP2C9ELANEMEN1KMT2A
SCHEMBL2522162 0.71 CYP2C9 (0.48) CYP2C9ALOX15TSHRCYP2C19KIF11
SCHEMBL11540959 0.68 HDAC1 (0.41)
SCHEMBL21224705 0.66
SCHEMBL21808104 0.66 MAPT (0.33) DUT
SCHEMBL28791230 0.65 KIF11 (0.47) CYP2C9ALOX15TSHRCYP2C19KIF11
SCHEMBL22091459 0.64 KIF11 (0.39) CYP2C9ALOX15TSHRCYP2C19KIF11
SCHEMBL2522686 0.64 KIF11 (0.39) CYP2C9ALOX15TSHRCYP2C19KIF11

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-11407772-B2 Optically-active cyclopentenone derivatives TOHOKU UNIVERSITY (JP) 2022-08-09 US disclosed
US-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES TOHOKU UNIVERSITY (JP) 2021-09-30 US disclosed
WO-2020059646-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES 国立大学法人東北大学 2020-03-26 WO 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-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES PTGIS, PTGES, PTGES2 CYP2C9 251/4885ALOX15 15/4885TSHR 4476/4885
US-11407772-B2 Optically-active cyclopentenone derivatives PTGIS, PTGES, PTGES2 CYP2C9 251/4885ALOX15 15/4885TSHR 4476/4885

“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.