SCHEMBL21717396

SCHEMBL21717396

Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGER4 P35408 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
PDPK1 O15530 1/20 0.32
BRD1 O95696 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL21710704 0.89 MAPK1 (0.36) CA1CA2ALDH1A1CYP1A2HPGD
SCHEMBL21710731 0.87 ENPP3 (0.37) CA1CA2ALDH1A1MAPK1MAPK9
SCHEMBL22679479 0.87 CYP1A2 (0.40) ALDH1A1CYP1A2HPGDCYP3A4MAPT
SCHEMBL21710649 0.87 PTGER4 (0.39) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL21717834 0.86 CA1 (0.40) CA1CA2MEN1KMT2APTGER4
SCHEMBL21710702 0.86 CA1 (0.37) CA1CA2ALDH1A1CYP1A2HPGD
SCHEMBL21710487 0.85 CA1 (0.39) CA1CA2ALDH1A1CYP1A2HPGD
SCHEMBL21710589 0.83 CA1 (0.47) CA1CA2ALDH1A1CYP1A2HPGD
SCHEMBL22679283 0.83 PTGER4 (0.35) CA1CA2ALDH1A1CYP1A2HPGD
SCHEMBL21717865 0.81 ENPP3 (0.35) CA1CA2ALDH1A1CYP1A2HPGD

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-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-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 CA1 2666/4885CA2 1903/4885ALDH1A1 153/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 CA1 2333/4885CA2 2351/4885ALDH1A1 37/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 CA1 2980/4885CA2 3016/4885ALDH1A1 189/4885

“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.