SCHEMBL15726670

SCHEMBL15726670

N#COc1ccc(OC(=O)COCCOCC(=O)Oc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11956764 0.95 CYP3A4 (0.37) CYP3A4TSHRGAALMNATDP1
SCHEMBL15708348 0.90 CYP3A4 (0.42) CYP3A4TSHRGAALMNATDP1
SCHEMBL15726604 0.86 KMT2A (0.44) CYP3A4TSHRLMNATDP1KMT2A
SCHEMBL15726608 0.86 KMT2A (0.36) CYP3A4TSHRGAALMNATDP1
SCHEMBL16270525 0.85 GAA (0.39) CYP3A4TSHRGAALMNATDP1
SCHEMBL15726640 0.85 KMT2A (0.38) CYP3A4TSHRGAALMNAKMT2A
SCHEMBL2577691 0.84 CYP3A4 (0.44) CYP3A4TSHRGAALMNATDP1
SCHEMBL11956787 0.83 PRSS1 (0.34) CYP3A4TSHRLMNATDP1KMT2A
SCHEMBL16573656 0.82 SERPINE1 (0.35) CYP3A4TSHRLMNATDP1KMT2A
SCHEMBL15908149 0.81 CYP1A2 (0.37) CYP3A4TSHRGAATDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 — — 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 (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-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES SI, MGAM, BPHL CYP3A4 78/4885TSHR 4412/4885GAA 276/4885

“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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