SCHEMBL5280086

SCHEMBL5280086

O=C(O)c1cccc(CCCCO)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.67
CYP4A11 Q02928 4/20 0.67
FOLH1 Q04609 4/20 0.58
DHODH Q02127 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
MEP1B Q16820 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL19301510 0.98 CYP4F2 (0.65) CYP4F2CYP4A11FOLH1DHODHCYP2D6
SCHEMBL5473039 0.95 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1DHODHCYP2D6
SCHEMBL16559877 0.89 FOLH1 (0.66) CYP4F2CYP4A11FOLH1CYP2D6CYP2C9
SCHEMBL334419 0.87 CYP4F2 (0.64) CYP4F2CYP4A11FOLH1DHODHCYP2D6
Isophthalic Acid SCHEMBL28054106 0.86 NPC1 (0.53) CYP4F2CYP4A11FOLH1KMT2A
SCHEMBL1980273 0.85 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AKMT2A
Hydrochloric Acid SCHEMBL11527299 0.85 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1DHODHCYP2D6
SCHEMBL371526 0.85 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
Isophthalic Acid SCHEMBL4651781 0.85 CA12 (0.56) FOLH1CYP2C9ANPEPENPEP
SCHEMBL443913 0.84 RARB (0.58) FOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD CYP4F2 564/4885CYP4A11 1158/4885FOLH1 2118/4885

“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.