SCHEMBL21883470

SCHEMBL21883470

c1ccc(-c2ccnc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccc(-c8cc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)c9)cc(-c9ccccn9)c8)nc7)c6)c5)c4)cc(-c4cc(-c5ccccc5)ccn4)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.45
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ CYP19A1 P11511 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR5 P51681 1/20 0.39

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
SCHEMBL17932830 0.92 CYP19A1 (0.49) TGFBR1HSD17B1HSD17B2CYP19A1HPGDS
SCHEMBL19037259 0.91 TGFBR1 (0.49) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL17932365 0.88 KDM4E (0.50) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL19009559 0.88 KDM4E (0.50) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL17944928 0.88 KDM4E (0.50) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL24398187 0.88 TGFBR1 (0.51) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL19009602 0.87 NPC1 (0.47) TGFBR1CYP19A1NPC1DHODHKDM4E
SCHEMBL17367833 0.86 HPGDS (0.50) TGFBR1HSD17B1HSD17B2CYP19A1HPGDS
SCHEMBL24177444 0.86 HPGDS (0.50) TGFBR1HSD17B1HSD17B2CYP19A1HPGDS
SCHEMBL17343428 0.86 KDM4E (0.52) CYP19A1NPC1DHODHKDM4ELMNA

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-11802242-B2 Quantum rod, and light-emitting device, optical member, and apparatus, including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-31 — — US disclosed
US-20230225198-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 — — US disclosed
US-20210371750-A1 QUANTUM ROD, AND LIGHT-EMITTING DEVICE, OPTICAL MEMBER, AND APPARATUS, INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-12-02 — — US disclosed
US-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-11 — — US disclosed
US-20200099001-A1 ORGANIC LIGHT-EMITTING DEVICE, APPARATUS INCLUDING THE SAME, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-26 — — 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 (2 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-20200099001-A1 ORGANIC LIGHT-EMITTING DEVICE, APPARATUS INCLUDING THE SAME, AND ORGANOMETALLIC COMPOUND LEF1, OCIAD1, OXA1L TGFBR1 1640/4885HSD17B1 849/4885HSD17B2 1253/4885
US-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE LEF1, OR10J3, CRY1 TGFBR1 916/4885HSD17B1 848/4885HSD17B2 664/4885

“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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