SCHEMBL1908799

SCHEMBL1908799

CC(C)(C)CCCC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.53
CYP2C19 P33261 1/20 0.47
TBXAS1 P24557 2/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15474468 0.97 RIPK1 (0.50) RIPK1CYP2C19TBXAS1CNR1CNR2
SCHEMBL27741741 0.95 RIPK1 (0.49) RIPK1CYP2C19TBXAS1CNR1CNR2
SCHEMBL27360178 0.86 PPARA (0.48) RIPK1CYP2C19TBXAS1CNR1CNR2
SCHEMBL11746883 0.84 FFAR4 (0.46) TBXAS1
SCHEMBL14360139 0.83 TBXAS1 (0.60) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL337193 0.82 RIPK1 (0.46) RIPK1CYP2C19TBXAS1CNR1CNR2
SCHEMBL337192 0.82 RIPK1 (0.46) RIPK1CYP2C19TBXAS1CNR1CNR2
SCHEMBL455432 0.81 POLB (0.53) CYP2C19TBXAS1CNR2SMN1; SMN2POLB
Ammonia Solution, Strong SCHEMBL28556745 0.81 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28562956 0.81 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 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-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD RIPK1 4668/4885CYP2C19 5/4885TBXAS1 1544/4885

“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.