SCHEMBL21717865

SCHEMBL21717865

Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)c1c3ccccc3cc3c4ccccc4n2c31

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.35
PTGER4 P35408 2/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
PDPK1 O15530 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 1/20 0.31
BRD1 O95696 1/20 0.30
TAF1 P21675 1/20 0.30
BRPF1 P55201 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL22679283 0.95 PTGER4 (0.35) ENPP3PTGER4MAPK1CA1CA2
SCHEMBL21717383 0.87 CYP1A2 (0.44) CYP1A2CYP2A6KDM4EALDH1A1GAA
SCHEMBL21717866 0.86 ENPP3 (0.40) ENPP3PTGER4CA1CA2PDPK1
SCHEMBL22858124 0.86 ENPP3 (0.38) ENPP3PTGER4MAPK1CA1CA2
SCHEMBL21710704 0.85 MAPK1 (0.36) ENPP3PTGER4MAPK1CA1CA2
SCHEMBL21710573 0.84 PTGER4 (0.36) ENPP3PTGER4MAPK1EGLN2KDM4E
SCHEMBL22679274 0.84 ENPP3 (0.39) ENPP3MAPK1CA1CA2XDH
SCHEMBL21718059 0.84 ENPP3 (0.37) ENPP3PTGER4MAPK1CA1CA2
SCHEMBL21710660 0.84 EGLN2 (0.34) ENPP3CA1CA2XDHSLC22A12
SCHEMBL21718127 0.83 ENPP3 (0.46) ENPP3PTGER4MAPK1CA1CA2

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 4 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-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 (2 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 ENPP3 2110/4885PTGER4 2157/4885MAPK1 1596/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885PTGER4 3243/4885MAPK1 1432/4885

“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.