SCHEMBL23299465

SCHEMBL23299465

Oc1c(Cl)cc(Cl)cc1-c1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ NMUR2 Q9GZQ4 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL24295514 0.88 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL26254443 0.77 GAA (0.49) ALDH1A1TSHRHSD17B10MAPTKMT2A
SCHEMBL8071292 0.77 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL23230617 0.76 GABRA1 (0.59) ALDH1A1CYP3A4TSHRMAPTKMT2A
SCHEMBL21756077 0.75 GAA (0.43) ALDH1A1CYP3A4TSHRHSD17B10MAPT
SCHEMBL22590245 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL15475815 0.73 KMT2A (0.39) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL20739878 0.73 AMY1A (0.42) ALDH1A1CYP3A4TSHRRECQLHSD17B10
SCHEMBL9108932 0.70 NMUR2 (0.48) MAPTKMT2AMEN1KDM4ENPSR1
SCHEMBL17037793 0.69 CA9 (0.54) ALDH1A1HSD17B10MAPTKMT2AMEN1

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 4 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

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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