SCHEMBL3219074

SCHEMBL3219074

COC(=O)c1ccccc1C(=O)N(C)c1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 13/20 0.58
▸ HSD17B1 P14061 12/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTR1A P08908 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ MTNR1A P48039 2/20 0.47
▸ MTNR1B P49286 2/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL3215959 0.87 HSD17B2 (0.60) HSD17B2HSD17B1L3MBTL1HTR1AHTR2A
SCHEMBL3227796 0.86 HSD17B2 (0.58) HSD17B2HSD17B1L3MBTL1HTR1AHTR2A
SCHEMBL12495722 0.78 HSD17B2 (0.59) HSD17B2HSD17B1MTNR1AMTNR1BGPBAR1
SCHEMBL6796131 0.77 HSD17B2 (0.91) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264517 0.76 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL11027897 0.76 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL22887209 0.76 HSD17B2 (0.55) HSD17B2HSD17B1L3MBTL1
Dimethyl Phthalate SCHEMBL28386688 0.75 TSHR (0.59) L3MBTL1
SCHEMBL10940468 0.74 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL9956630 0.74 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 — — US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 — — 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 HSD17B2 4746/4885HSD17B1 4796/4885L3MBTL1 4126/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B HSD17B2 4828/4885HSD17B1 4823/4885L3MBTL1 2579/4885

“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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