SCHEMBL21117282

SCHEMBL21117282

C=C(C)/C=C\C(=C/C)N(c1ccc(C)cc1)c1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ ACHE P22303 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ HSD11B2 P80365 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 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
SCHEMBL29337652 0.81 ESR1 (0.34) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL25986772 0.81 — —
SCHEMBL12808642 0.81 TRPM8 (0.35) ALDH1A1LMNAHTT
SCHEMBL12306231 0.78 ESR1 (0.48) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL21168792 0.78 ESR1 (0.48) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL39661 0.78 ESR1 (0.48) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL5452904 0.78 ESR1 (0.48) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13879208 0.78 ESR1 (0.48) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL15788715 0.76 ESR1 (0.32) ESR1ESR2
SCHEMBL75338 0.76 ESR1 (0.47) ESR1ESR2ACHEALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 — — US disclosed
EP-3502117-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-16 — — EP disclosed
US-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 — — 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-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 ESR1 900/4885ESR2 2334/4885ACHE 1413/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 ESR1 900/4885ESR2 2334/4885ACHE 1413/4885

“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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