Sugi Predict

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SCHEMBL21149697

SCHEMBL21149697

Bc1c(B)c(B)c(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c(B)c1B

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ GSTP1 P09211 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ CYP1A2 P05177 4/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL23056801 0.90 PIM1 (0.39) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL24771813 0.90 ESR1 (0.43) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL269358 0.87 ESR1 (0.50) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL2964464 0.87 ESR1 (0.50) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL19200538 0.86 ESR1 (0.43) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL9612512 0.85 ESR1 (0.44) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL18773652 0.85 ESR1 (0.42) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL13350197 0.85 ESR1 (0.46) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL12983053 0.84 ESR1 (0.40) ESR1ESR2GSTP1ALOX5CYP1A1
SCHEMBL21238074 0.84 ESR1 (0.52) ESR1ESR2GSTP1ALOX5CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11139437-B2 Compound and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2021-10-05 — — US disclosed
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 — — US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 — — US disclosed
US-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 — — US disclosed
US-20190214579-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-07-11 — — 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 (4 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-11139437-B2 Compound and organic electroluminescence device RIF1, OR10J3, LEF1 ESR1 71/4885ESR2 221/4885GSTP1 3560/4885
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ESR1 7/4885ESR2 3/4885GSTP1 403/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ESR1 50/4885ESR2 119/4885GSTP1 1273/4885
US-20190214579-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, RIF1, OR10J3 ESR1 266/4885ESR2 523/4885GSTP1 3982/4885

“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.