SCHEMBL22679283

SCHEMBL22679283

Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)c1cc3ccccc3c3c4ccccc4n2c13

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
MAPK1 P28482 1/20 0.34
ENPP3 O14638 1/20 0.33
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
MAPT P10636 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

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
SCHEMBL21717865 0.95 ENPP3 (0.35) PTGER4MAPK1ENPP3CA1CA2
SCHEMBL21717408 0.87 CYP1A2 (0.44) CYP1A2CYP2A6KDM4EMAPTGAA
SCHEMBL21717404 0.86 ENPP3 (0.38) PTGER4ENPP3CA1CA2PDPK1
SCHEMBL21710482 0.86 PTGER4 (0.38) PTGER4MAPK1ENPP3CA1CA2
SCHEMBL21717405 0.86 CYP1A2 (0.35) CYP1A2CYP2A6KDM4EMAPTMEN1
SCHEMBL21710663 0.84 ALDH1A3 (0.39) MAPK1ENPP3CA1CA2XDH
SCHEMBL21710731 0.84 ENPP3 (0.37) PTGER4MAPK1ENPP3CA1CA2
SCHEMBL21718059 0.84 ENPP3 (0.37) PTGER4MAPK1ENPP3CA1CA2
SCHEMBL21710660 0.84 EGLN2 (0.34) ENPP3CA1CA2XDHSLC22A12
SCHEMBL21710700 0.83 CA1 (0.44) PTGER4MAPK1ENPP3CA1CA2

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-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 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-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 PTGER4 3243/4885MAPK1 1432/4885ENPP3 2238/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 PTGER4 4325/4885MAPK1 3936/4885ENPP3 3165/4885

“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.