SCHEMBL29641987

SCHEMBL29641987

O=C(/C=C/c1ccccc1CCOc1ccc(-c2ccnn2C2CCCCO2)nc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 14/20 0.55
▸ CYP4A11 Q02928 14/20 0.55
▸ ATR Q13535 2/20 0.38
▸ MGLL Q99685 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGDR Q13258 1/20 0.33

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
SCHEMBL22070526 0.90 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL28386468 0.90 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL29642058 0.84 CYP4F2 (0.55) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22070932 0.82 CYP4A11 (0.61) CYP4F2CYP4A11ATR
SCHEMBL20590870 0.81 CYP4F2 (0.79) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22071019 0.80 CYP4F2 (0.59) CYP4F2CYP4A11ATR
SCHEMBL22070818 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22070817 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22070820 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22070764 0.79 CYP4F2 (0.62) CYP4F2CYP4A11ATRPTGER3PTGDR

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-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — 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-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885ATR 4013/4885

“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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