SCHEMBL5747161

SCHEMBL5747161

C#Cc1ccc(F)cc1OCOC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
XDH P47989 1/20 0.34
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KCNN4 O15554 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27721124 0.81 ACHE (0.38) XDHUSP2SMN1; SMN2
SCHEMBL7649147 0.80 NFE2L2 (0.38) FFAR1FFAR4MAOBUSP2
SCHEMBL392605 0.80 PTGDR2 (0.39) PTGDR2FFAR1FFAR4XDH
SCHEMBL2291084 0.79 NPC1 (0.37) PTGDR2XDHKCNN4SMN1; SMN2
SCHEMBL546111 0.77 TDP1 (0.38) KCNN4
SCHEMBL28867665 0.77 XDH (0.51) FFAR1FFAR4XDHMAOAMAOB
SCHEMBL29940793 0.77 XDH (0.51) FFAR1FFAR4XDHMAOAMAOB
SCHEMBL30755347 0.75 FFAR1 (0.47) FFAR1FFAR4KCNN4SMN1; SMN2
SCHEMBL4749281 0.75 FFAR1 (0.47) FFAR1FFAR4KCNN4SMN1; SMN2
SCHEMBL7931901 0.75 XDH (0.50) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 PTGDR2 1556/4885FFAR1 3811/4885FFAR4 4319/4885

“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.