SCHEMBL20208770

SCHEMBL20208770

COC(=O)c1ccc(OC)cc1-c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PLA2G2A P14555 1/20 0.49
NEK1 Q96PY6 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GAA P10253 1/20 0.47
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL29706084 1.00 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12922054 0.92 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6775841 0.89 KDM4E (0.62) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30285198 0.88 SLC6A3 (0.66) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8202718 0.86 PRKAB2 (0.55) KDM4EALDH1A1LMNASMN1; SMN2AKR1C3
SCHEMBL2934843 0.86 ALDH1A1 (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2949877 0.85 KDM4E (0.64) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18333404 0.84 KMT2A (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18607969 0.82 KMT2A (0.49) MAPTALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL18363044 0.81 CA12 (0.46) KDM4EMAPTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940681-A Electroactive compounds 株式会社LG化学 2022-08-26 CN disclosed
CN-110023319-B Electroactive compounds 株式会社LG化学 2022-06-17 CN disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 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 (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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 KDM4E 3818/4885CYP1A2 195/4885CYP2D6 178/4885

“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.