SCHEMBL21282003

SCHEMBL21282003

c1ccc2cc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
DHODH Q02127 1/20 0.31
HTR2B P41595 1/20 0.30
HTR5A P47898 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
SCHEMBL21941897 0.96 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22277121 0.89 ALDH1A1 (0.33)
SCHEMBL21212910 0.89 HPGD (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21213185 0.89 ESR1 (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21942023 0.89 HSD17B10 (0.37) DHODH
SCHEMBL21942098 0.89 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21941971 0.88 KDM4E (0.34)
SCHEMBL19655144 0.86 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22277010 0.86 ESR1 (0.37) DHODH
SCHEMBL22277138 0.86 ESR1 (0.37) DHODH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11367839-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-06-21 US disclosed
WO-2020130389-A1 ORGANIC ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-06-25 WO disclosed
WO-2020130392-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-06-25 WO disclosed
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed
WO-2019172623-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-09-12 WO disclosed
WO-2019160335-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-08-22 WO 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 (1 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-11367839-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof ORAI2, KCNJ2, OR10J3 TUBB4A 3968/4885TUBB 4691/4885TUBA3C 4238/4885

“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.