SCHEMBL4164181

SCHEMBL4164181

Cc1ccc(-c2c(F)c(F)nc(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.40
▸ ENPP1 P22413 2/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ HEXA P06865 1/20 0.38
▸ HEXB P07686 1/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 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
SCHEMBL4147252 0.83 ACHE (0.50) ACHEHEXAHEXBPTGS2PTGS1
SCHEMBL4155727 0.80 ACHE (0.48) ACHEHEXAHEXBPTGS2PTGS1
SCHEMBL13170620 0.78 ACHE (0.46) ACHEENPP1ENPP3HEXAHEXB
SCHEMBL4152903 0.78 ACHE (0.46) ACHEHEXAHEXBPTGS2PTGS1
SCHEMBL21562893 0.77 ALDH1A1 (0.41) TDP1NOTUMALDH1A3NPC1RAB9A
SCHEMBL13827302 0.77 ALDH1A1 (0.43) ACHETDP1NPC1RAB9AMEN1
SCHEMBL9804461 0.77 MAPT (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21544310 0.76 MAPT (0.40) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL3964861 0.76 ACHE (0.43) ACHEHEXAHEXBPTGS2PTGS1
SCHEMBL27993181 0.75 ENPP3 (0.46) ENPP1ENPP3HEXAHEXBPTGS2

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-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 — — US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 — — US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 — — 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH ACHE 3552/4885ENPP1 3096/4885ENPP3 2699/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 ACHE 1667/4885ENPP1 3369/4885ENPP3 3833/4885

“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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