SCHEMBL21940344

SCHEMBL21940344

Bc1c(B)c(B)c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c(B)c(B)c(B)c(B)c3c(-c3ccccc3)c2c1B

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32
WEE1 P30291 1/20 0.30
XRCC6 P12956 1/20 0.30
XRCC5 P13010 1/20 0.30
PRKDC P78527 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL22382195 0.97 ALDH1A1 (0.33) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL25683959 0.97 ALDH1A1 (0.33) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL25684122 0.94 ALDH1A1 (0.33) ALDH1A1MAPTRAB9AKDM4EMAOB
SCHEMBL21940407 0.94 ALDH1A1 (0.33) ALDH1A1MAPTRAB9AKDM4EMAOB
SCHEMBL24735382 0.94 ALDH1A1 (0.35) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL22382206 0.94 ALDH1A1 (0.35) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL22382151 0.92 ALDH1A1 (0.33) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL23109571 0.92 ESR1 (0.35) ALDH1A1MAPTESR1ESR2RAB9A
SCHEMBL25683867 0.91 ALDH1A1 (0.34) ALDH1A1MAPTRAB9AKDM4EMAOB
SCHEMBL23109579 0.91 ALDH1A1 (0.32) ALDH1A1MAPTRAB9AKDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND LG CHEM, LTD. (KR) 2023-10-05 US disclosed
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-20220393110-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION, POWDER, ELECTRONIC EQUIPMENT, AND NOVEL COMPOUND IDEMITSU KOSAN CO.,LTD. (CN) 2022-12-08 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 (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-20200111973-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME RER1, RPS19, MRPS22 ALDH1A1 459/4885MAPT 4121/4885ESR1 6/4885
US-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, MRPS22 ALDH1A1 459/4885MAPT 4121/4885ESR1 6/4885
US-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND CYP1A1, AOX1, CYP1B1 ALDH1A1 8/4885MAPT 1319/4885ESR1 129/4885
US-20230020436-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS MRPS22, RER1, EMC2 ALDH1A1 1929/4885MAPT 3554/4885ESR1 57/4885

“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.