SCHEMBL18958179

SCHEMBL18958179

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5c5cccnc54)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TOP1 P11387 2/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ MAP3K8 P41279 1/20 0.32
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL18958191 1.00 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL17349683 0.96 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958183 0.96 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958173 0.96 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958156 0.96 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958199 0.95 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958165 0.95 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL17349416 0.94 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958098 0.94 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KDM4EPDE4B
SCHEMBL18958081 0.94 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KDM4EPDE4B

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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