SCHEMBL22652638

SCHEMBL22652638

N#Cc1ccc(-c2ccc3c(ccc4cc5c6c(-c7ccccc7)c7c(cc8c9ccccc9c9cccc7c98)c(-c7ccccc7)c6c6cccc(c43)c65)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ PGR P06401 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL22652675 1.00 ESR1 (0.36) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL22916770 0.95 CYP11B1 (0.39) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL21454574 0.92 CA1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22652769 0.92 CA1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20802973 0.87 CYP17A1 (0.35) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL20803114 0.87 CYP17A1 (0.35) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL20802905 0.87 CYP17A1 (0.35) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL17119049 0.84 CA1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14139961 0.83 PRKDC (0.35) PGRGABRA1GABRG2GABRB3GABRA5
SCHEMBL14139970 0.83 PRKDC (0.35) PGRGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230345816-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-26 — — US disclosed
US-20230345816-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-26 — — US disclosed
US-20230242465-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-08-03 — — US disclosed
US-20230242465-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-08-03 — — US disclosed
US-20230047477-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 — — US disclosed
US-20230042023-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-09 — — US disclosed
US-11271164-B2 Compound, composition, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD (JP) 2022-03-08 — — US disclosed
WO-2021107030-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-06-03 — — WO disclosed
US-20210028365-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-01-28 — — US disclosed
US-20200358000-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-11-12 — — 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-20230242465-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EP300, RPS19, RER1 ESR1 241/4885ESR2 423/4885HSD17B1 2680/4885
US-20200358000-A1 COMPOUND, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE PAX2, CXXC4, XDH ESR1 50/4885ESR2 52/4885HSD17B1 3278/4885
US-20230345816-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, YBX1 ESR1 68/4885ESR2 113/4885HSD17B1 2439/4885
US-11271164-B2 Compound, composition, organic electroluminescent element and electronic device PAX2, CXXC4, XDH ESR1 50/4885ESR2 52/4885HSD17B1 3278/4885

“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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