SCHEMBL20191195

SCHEMBL20191195

CC1(C)c2cc3c(cc2-c2cc4oc5cc(Cl)ccc5c4cc21)oc1cc(Cl)ccc13

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 8/20 0.53
▸ MCL1 Q07820 1/20 0.41
▸ TTR P02766 2/20 0.40
▸ CDC25A P30304 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ DAO P14920 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL29705911 1.00 AHR (0.53) AHRMCL1TTRCDC25ACDC25C
SCHEMBL20654600 0.85 AHR (0.57) AHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL20654782 0.85 AHR (0.57) AHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL22920946 0.81 AHR (0.39) AHRCDC25ACDC25CALKKDM4E
SCHEMBL20654809 0.81 AHR (0.55) AHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL16745224 0.81 AHR (0.55) AHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL24809774 0.80 AHR (0.50) AHRMCL1TTRCDC25ACDC25C
SCHEMBL24808042 0.80 AHR (0.50) AHRMCL1TTRCDC25ACDC25C
SCHEMBL20209148 0.79 AHR (0.72) AHRMCL1TTRCDC25ACDC25C
SCHEMBL20208918 0.79 AHR (0.72) AHRMCL1TTRCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12004419-B2 Electroactive compounds LG CHEM, LTD. (KR) 2024-06-04 — — US disclosed
US-20220093872-A1 Electroactive Compounds LG CHEM, LTD. (KR) 2022-03-24 — — US disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US 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
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 (3 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-20220093872-A1 Electroactive Compounds KCNN3, KCNN2, HCN3 AHR 1606/4885MCL1 4571/4885TTR 1340/4885
US-12004419-B2 Electroactive compounds KCNN3, KCNN2, HCN3 AHR 1606/4885MCL1 4571/4885TTR 1340/4885
US-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 AHR 1187/4885MCL1 4560/4885TTR 1352/4885

“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.

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