SCHEMBL22590245

SCHEMBL22590245

Oc1c(Cl)cc(Cl)cc1-c1c(F)cccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ AMY1A P0DUB6 3/20 0.39
▸ ACLY P53396 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ STK39 Q9UEW8 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TBXAS1 P24557 2/20 0.34

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
SCHEMBL22195646 0.83 IDO1 (0.39) HSP90AA1MAPTMEN1KMT2ACA1
SCHEMBL20739878 0.81 AMY1A (0.42) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL19802353 0.81 EPHX2 (0.41) ALDH1A1TSHRHSD17B10HSP90AA1MAPT
SCHEMBL20982342 0.79 CXCR2 (0.40) ALDH1A1CYP3A4TSHRHSD17B10HSP90AA1
SCHEMBL23299465 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL19802270 0.73 PTGES (0.39) MEN1KMT2AMAPK1LMNAHTT
SCHEMBL22592903 0.73 GABRA1 (0.48) CYP3A4TSHRAMY1AMEN1KMT2A
SCHEMBL24295514 0.72 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL22884859 0.71 TSHR (0.41) ALDH1A1TSHRHSP90AA1MAPTKDM4E
SCHEMBL22129740 0.71 CA1 (0.37) ALDH1A1MAPK1TTRHTTCA1

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-11802123-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-10-31 — — US disclosed
US-11802123-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-10-31 — — US disclosed
US-20220064153-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-03-03 — — US disclosed
EP-3415512-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2021-04-28 — — EP disclosed
US-10818848-B2 Organic light emitting device LG CHEM, LTD. (KR) 2020-10-27 — — 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-11802123-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CRY2, PPOX ALDH1A1 76/4885CYP3A4 15/4885TSHR 3876/4885
US-20220064153-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, ORC3 ALDH1A1 94/4885CYP3A4 21/4885TSHR 4111/4885

“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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