SCHEMBL27435541

SCHEMBL27435541

COC(=O)CCCOC(C)c1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 10/20 0.43
▸ MCHR1 Q99705 1/20 0.40
▸ GPR139 Q6DWJ6 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PKLR P30613 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL27435536 0.92 NPBWR1 (0.43) NPBWR1MCHR1GPR139LMNAMAPT
SCHEMBL27077806 0.89 NPBWR1 (0.42) NPBWR1MCHR1GPR139AURKAAURKB
SCHEMBL27077786 0.88 NPBWR1 (0.43) NPBWR1MCHR1GPR139CYP11B1CYP11B2
SCHEMBL27435547 0.81 NPBWR1 (0.53) NPBWR1MCHR1AURKAAURKBPKM
SCHEMBL27435544 0.81 NPBWR1 (0.42) NPBWR1MCHR1GPR139AURKAAURKB
SCHEMBL27077886 0.81 NPBWR1 (0.42) NPBWR1MCHR1LMNAMAPTPKM
SCHEMBL27077739 0.80 NPBWR1 (0.44) NPBWR1MCHR1GPR139PKMPKLR
SCHEMBL29150273 0.79 NPBWR1 (0.41) NPBWR1MCHR1AURKAAURKBCYP11B1
SCHEMBL27077642 0.75 NPBWR1 (0.49) NPBWR1MCHR1AURKAAURKBPKM
SCHEMBL29150308 0.72 NPBWR1 (0.41) NPBWR1MCHR1LMNAMAPTSMN1; SMN2

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-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX NPBWR1 830/4885MCHR1 1306/4885GPR139 2463/4885

“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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