SCHEMBL21940341

SCHEMBL21940341

Bc1c(B)c(B)c2c(-c3cccc4ccccc34)c3c(B)c(B)c(B)c(B)c3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c2c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PSD A5PKW4 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 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
SCHEMBL25683352 0.98 MAOB (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21940511 0.94 ENPP3 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25789641 0.93 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21906921 0.93 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL24479976 0.91 MAPT (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25005395 0.90 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21908006 0.89 PLA2G2A (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25457505 0.89 KDM4E (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22382163 0.89 AHR (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25035906 0.89 MAPT (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A

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-20230165138-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-05-25 US disclosed
US-20230145611-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO.,LTD. (JP) 2023-05-11 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-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 (5 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 4121/4885KDM4E 2587/4885
US-20230165138-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, OR10J3, RIF1 ALDH1A1 464/4885MAPT 2051/4885KDM4E 3581/4885
US-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, MRPS22 ALDH1A1 459/4885MAPT 4121/4885KDM4E 2587/4885
US-20230020436-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS MRPS22, RER1, EMC2 ALDH1A1 1929/4885MAPT 3554/4885KDM4E 2476/4885
US-20230145611-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, ETV6, SSB ALDH1A1 123/4885MAPT 3927/4885KDM4E 733/4885

“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.