SCHEMBL18958610

SCHEMBL18958610

c1ccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3c3cccnc32)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
▸ CYP2C9 P11712 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ KDM4E B2RXH2 2/20 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
▸ ALPI P09923 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL17348864 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL17349278 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL18958618 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL18958567 0.93 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL18958531 0.93 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL17348857 0.93 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL17349527 0.93 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP2C9GRM5
SCHEMBL18958607 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19AKT1FEN1
SCHEMBL17349524 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19AKT1FEN1
SCHEMBL18958609 0.91 GRM5 (0.36) ALDH1A1TSHRCYP2C19GRM5NPY5R

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.

Send feedback