SCHEMBL734781

SCHEMBL734781

N#Cc1ccccc1OC(=O)c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ ESR1 P03372 3/20 0.37

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
SCHEMBL734780 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDKMT2AGAA
SCHEMBL755202 0.79 KMT2A (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AGAA
SCHEMBL11443998 0.78 SLC6A3 (0.60) ALDH1A1SMN1; SMN2HPGDKMT2AGAA
SCHEMBL11431485 0.77 SCN1A (0.46) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL31612294 0.76 LMNA (0.40) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL11386163 0.75 TSHR (0.44) ALDH1A1SMN1; SMN2HPGDHTTKMT2A
SCHEMBL6567956 0.74 KMT2A (0.58) SMN1; SMN2KMT2AGAALMNATSHR
SCHEMBL10060644 0.74 ESR1 (0.50) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6199923 0.73 LMNA (0.48) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL124189 0.73 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HPGDGAATSHR

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 — — US claimed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 — — US claimed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 — — US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 — — 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 (1 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR PTGDR2 4700/4885ALDH1A1 2127/4885SMN1; SMN2 1394/4885

“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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