SCHEMBL21940074

SCHEMBL21940074

Bc1c(B)c(B)c2c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3c(B)c(B)c(B)c(B)c3c(-c3ccccc3)c2c1B

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
XRCC6 P12956 1/20 0.32
XRCC5 P13010 1/20 0.32
PRKDC P78527 1/20 0.32
AHR P35869 3/20 0.31
CYP1A1 P04798 1/20 0.31
FYN P06241 1/20 0.31
MAPK3 P27361 1/20 0.31
PAX8 Q06710 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAPT P10636 3/20 0.31

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
SCHEMBL21940070 0.92 PLA2G2A (0.36) ESR1ESR2ALDH1A1CYP1A2CA1
SCHEMBL26019202 0.90 PLA2G2A (0.35) ESR1ESR2ALDH1A1CYP1A2CA1
SCHEMBL23109602 0.90 PLA2G2A (0.35) ESR1ESR2ALDH1A1CYP1A2CA1
SCHEMBL23814346 0.90 XRCC6 (0.31) XRCC6XRCC5PRKDCAHR
SCHEMBL26010882 0.88 PLA2G2A (0.38) ESR1ESR2ALDH1A1CYP1A2KDM4E
SCHEMBL25684384 0.88 PLA2G2A (0.38) ESR1ESR2ALDH1A1CYP1A2KDM4E
SCHEMBL25688105 0.87 ENPP3 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL24908330 0.87 PLA2G2A (0.37) ESR1ESR2ALDH1A1CYP1A2KDM4E
SCHEMBL23109323 0.85 PLA2G2A (0.34) ESR1ESR2ALDH1A1CYP1A2KDM4E
SCHEMBL24908172 0.85 PGR (0.38) ESR1ESR2ALDH1A1CYP1A2CYP2C9

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
US-20230019712-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-19 US disclosed
US-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same IDEMITSU KOSAN CO., LTD. (JP) 2020-09-15 US disclosed
US-10763441-B2 Organic electroluminescence device and electronic apparatus provided with the same IDEMITSU KOSAN CO., LTD. (JP) 2020-09-01 US disclosed
US-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 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 (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-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME RER1, RPS19, MRPS22 ESR1 6/4885ESR2 7/4885ALDH1A1 459/4885
US-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, MRPS22 ESR1 6/4885ESR2 7/4885ALDH1A1 459/4885

“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.