SCHEMBL5860604

SCHEMBL5860604

OCc1cc(-c2ccc(C(F)(F)F)cc2)oc1CCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
KIF11 P52732 1/20 0.41
FFAR1 O14842 1/20 0.40
NR3C2 P08235 1/20 0.40
FLT1 P17948 6/20 0.39
KDR P35968 6/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5861896 0.86 FFAR1 (0.42) FFAR1NR3C2CYP1A1CYP1A2CYP2E1
SCHEMBL5862799 0.81 CYP1A1 (0.41) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3111585 0.80 CYP1A1 (0.43) KIF11FFAR1CYP1A1CYP1A2CYP2E1
SCHEMBL5861739 0.79 CYP1A1 (0.40) S1PR1KIF11FFAR1CYP1A1CYP1A2
SCHEMBL3909054 0.79 EIF4A1 (0.40) S1PR1KIF11FFAR1SMN1; SMN2CYP1A1
SCHEMBL5861211 0.77 CYP1A1 (0.41) S1PR1KIF11FFAR1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL5860788 0.77 KDM4E (0.42) FFAR1NR3C2FLT1KDRGSK3B
SCHEMBL3107826 0.76 CYP1A1 (0.40) KIF11FFAR1CYP1A1CYP1A2CYP2E1
SCHEMBL5862805 0.75 CYP1A1 (0.46) KIF11FFAR1CYP1A1CYP1A2CYP2E1
SCHEMBL5862035 0.75 PRMT1 (0.40) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4

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-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA S1PR1 626/4885S1PR3 851/4885KIF11 4320/4885

“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.