SCHEMBL21940072

SCHEMBL21940072

Bc1c(B)c(B)c2c(-c3cccc4oc5c6ccccc6ccc5c34)c3c(B)c(B)c(B)c(B)c3c(-c3ccccc3)c2c1B

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.39
CYP1A2 P05177 11/20 0.39
CYP1B1 Q16678 10/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
ABCC1 P33527 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PRKDC P78527 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
PDE5A O76074 1/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39

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
SCHEMBL22382184 0.93 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL26591896 0.91 ARSA (0.38) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24735358 0.90 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL26591498 0.90 ARSA (0.37) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24908328 0.90 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24776849 0.89 ARSA (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24481438 0.88 ARSA (0.34) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL22381109 0.87 ALOX5 (0.39) CYP1A2ALDH1A1MAPTPRKDCKDM4E
SCHEMBL24469249 0.86 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL18266967 0.85 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1ABCG2ABCC1

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.