SCHEMBL21710470

SCHEMBL21710470

Cc1ccc(C#N)cc1-c1cc2c3ccccc3n3c4cc5ccccc5cc4c(c1)c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.40
PTGER4 P35408 2/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABL1 P00519 2/20 0.33
CHEK1 O14757 1/20 0.32
MAPK1 P28482 1/20 0.32
RORC P51449 2/20 0.31
SRC P12931 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PDE4A P27815 1/20 0.31
METAP2 P50579 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
SCHEMBL19563785 0.95 ENPP3 (0.38) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL21717346 0.92 PTGER4 (0.37) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL21717870 0.90 ENPP3 (0.39) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL22106586 0.89 ENPP3 (0.39) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL19563848 0.86 ENPP3 (0.38) ENPP3CA1CA2CYP11B1CYP11B2
SCHEMBL22858080 0.86 CA1 (0.38) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL21717824 0.85 PTGER4 (0.41) ENPP3PTGER4CYP11B1CYP11B2ABL1
SCHEMBL21718059 0.84 ENPP3 (0.37) ENPP3PTGER4CA1CA2CHEK1
SCHEMBL21710482 0.84 PTGER4 (0.38) ENPP3PTGER4CA1CA2CYP11B1
SCHEMBL22858124 0.84 ENPP3 (0.38) ENPP3PTGER4CA1CA2CYP11B1

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-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-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 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-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 ENPP3 2110/4885PTGER4 2157/4885CA1 2666/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885PTGER4 3243/4885CA1 2333/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ENPP3 3165/4885PTGER4 4325/4885CA1 2980/4885

“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.