SCHEMBL20739878

SCHEMBL20739878

Oc1c(Cl)cc(Cl)cc1-c1cccc(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PARG Q86W56 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ STK39 Q9UEW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL21891044 0.83 IDO1 (0.41) ALDH1A1TSHRHSP90AA1MAPTMEN1
SCHEMBL30140915 0.83 IDO1 (0.41) ALDH1A1TSHRHSP90AA1MAPTMEN1
SCHEMBL22590245 0.81 ALDH1A1 (0.41) AMY1AALDH1A1CYP3A4TSHRRECQL
SCHEMBL21995608 0.79 EPHX2 (0.41) ALDH1A1CYP3A4TSHRHSD17B10HSP90AA1
SCHEMBL21755999 0.77 CXCR2 (0.44) ALDH1A1CYP3A4TSHRHSD17B10HSP90AA1
SCHEMBL25916103 0.75 ALDH1A1 (0.33) AMY1AALDH1A1TSHRHSD17B10MEN1
SCHEMBL8071292 0.74 ALDH1A1 (0.72) AMY1AALDH1A1CYP3A4TSHRRECQL
SCHEMBL23299465 0.73 ALDH1A1 (0.43) AMY1AALDH1A1CYP3A4TSHRRECQL
SCHEMBL22884323 0.73 TSHR (0.39) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL18593183 0.73 HSD11B1 (0.43) ALDH1A1TSHRKDM4EMEN1KMT2A

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-11208402-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2021-12-28 — — 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-20190047991-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2019-02-14 — — 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 (3 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 AMY1A 2891/4885ALDH1A1 76/4885CYP3A4 15/4885
US-11208402-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CRY2, PPOX AMY1A 2891/4885ALDH1A1 76/4885CYP3A4 15/4885
US-20190047991-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, ORC3 AMY1A 3438/4885ALDH1A1 176/4885CYP3A4 31/4885

“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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