SCHEMBL21940408

SCHEMBL21940408

Bc1c(B)c(B)c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c(B)c(B)c(B)c(B)c3c(-c3ccccc3)c2c1B

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 12/20 0.42
CYP1A2 P05177 11/20 0.42
CYP1B1 Q16678 11/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PRKDC P78527 2/20 0.42
ABCC1 P33527 2/20 0.42
PDE5A O76074 1/20 0.42
TP53 P04637 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL24024570 0.99 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24766832 0.99 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL25006422 0.96 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24908343 0.95 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24908185 0.94 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL25036205 0.93 KDM4E (0.39) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24908337 0.93 KDM4E (0.36) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24766950 0.93 PGR (0.37) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL24766724 0.93 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1KDM4EHPGD
SCHEMBL25886774 0.92 ABCG2 (0.40) CYP1A1CYP1A2CYP1B1KDM4EHPGD

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-20230020436-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-19 US disclosed
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 (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-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME RER1, RPS19, MRPS22 CYP1A1 1501/4885CYP1A2 1560/4885CYP1B1 2295/4885
US-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, MRPS22 CYP1A1 1501/4885CYP1A2 1560/4885CYP1B1 2295/4885
US-20230020436-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS MRPS22, RER1, EMC2 CYP1A1 2906/4885CYP1A2 2560/4885CYP1B1 3906/4885

“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.