SCHEMBL21717873

SCHEMBL21717873

Cc1ccc2c(c1)c1cccc3c4cc5ccccc5cc4n2c13

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 4/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL17265046 0.88 MAPT (0.47) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL10153568 0.86 ALKBH5 (0.46) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL25635477 0.86 ALKBH5 (0.46) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL19563770 0.86 ALDH1A1 (0.39) CYP2A6TDP1CYP1A2MAPTLMNA
SCHEMBL32672557 0.86 ALDH1A1 (0.39) CYP2A6TDP1CYP1A2MAPTLMNA
SCHEMBL21710648 0.85 CYP2A6 (0.43) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL25635001 0.85 ALKBH5 (0.44) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL19564398 0.84 KDM4E (0.42) CYP1A2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19563800 0.84 CYP1A2 (0.44) CYP2A6TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL20857814 0.84 ALDH1A1 (0.38) CYP2A6TDP1CYP1A2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 CYP2A6 3452/4885TDP1 2807/4885CYP1A2 1303/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 CYP2A6 2475/4885TDP1 2334/4885CYP1A2 259/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 CYP2A6 4056/4885TDP1 2003/4885CYP1A2 2052/4885

“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.