SCHEMBL18958226

SCHEMBL18958226

c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ FEN1 P39748 1/20 0.32
▸ MCL1 Q07820 3/20 0.32
▸ METAP1 P53582 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ AKT1 P31749 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ HSP90AA1 P07900 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
SCHEMBL18958192 0.96 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL17349684 0.94 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL18958184 0.94 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL17349420 0.94 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EGRM5
SCHEMBL18958101 0.94 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EGRM5
SCHEMBL18958178 0.94 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL18958153 0.94 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL18958179 0.92 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL18958191 0.92 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19NPY5RKDM4E
SCHEMBL18958180 0.92 NPY5R (0.36) ALDH1A1TSHRCYP2C19NPY5RKDM4E

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-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO., LTD (KR) 2021-08-19 — — US disclosed
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2021-03-11 — — US disclosed
US-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2020-06-18 — — US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 — — US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 — — 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 (4 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-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885

“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.

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