SCHEMBL4054463

SCHEMBL4054463

CCCCCC(O)C(C)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
ABCB1 P08183 1/20 0.50
GPR84 Q9NQS5 7/20 0.47
CA1 P00915 2/20 0.47
FFAR1 O14842 1/20 0.47
CYP2D6 P10635 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CETP P11597 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44

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
SCHEMBL28776925 0.98 SPHK1 (0.55) SPHK1ABCB1GPR84FFAR1CYP2D6
SCHEMBL4051370 0.98 SPHK1 (0.55) SPHK1ABCB1GPR84FFAR1CYP2D6
SCHEMBL4054781 0.93 ABCB1 (0.44) SPHK1ABCB1GPR84CA1FFAR1
SCHEMBL4060654 0.84 LMNA (0.39) SPHK1ABCB1GPR84CA1FFAR1
SCHEMBL3680620 0.83 GPR84 (0.57) SPHK1ABCB1GPR84CA1FFAR1
SCHEMBL7083484 0.81 GPR84 (0.61) SPHK1ABCB1GPR84FFAR1MAPT
SCHEMBL7822400 0.81 GPR84 (0.61) SPHK1ABCB1GPR84FFAR1MAPT
SCHEMBL2498859 0.81 GPR84 (0.61) SPHK1ABCB1GPR84FFAR1MAPT
SCHEMBL22552779 0.81 GPR84 (0.61) SPHK1ABCB1GPR84FFAR1MAPT
SCHEMBL22552585 0.81 GPR84 (0.61) SPHK1ABCB1GPR84FFAR1MAPT

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-20030092599-A1 Fragrance and flavor compositions and fragrance- and flavor-added products TAKASAGO INTERNATIONAL CORPORATION 2003-05-15 US claimed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-20030092599-A1 Fragrance and flavor compositions and fragrance- and flavor-added products TAKASAGO INTERNATIONAL CORPORATION 2003-05-15 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-20030092599-A1 Fragrance and flavor compositions and fragrance- and flavor-added products FAAH, KISS1R, DOHH SPHK1 1461/4885ABCB1 4555/4885GPR84 93/4885

“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.