SCHEMBL3365704

SCHEMBL3365704

CCCCCC(O)C(C)N

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.95
TRPV1 Q8NER1 2/20 0.76
TRPA1 O75762 1/20 0.76
CYP2D6 P10635 2/20 0.59
TP53 P04637 2/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
BLM P54132 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
CETP P11597 1/20 0.59
HTT P42858 1/20 0.59
UBE2N P61088 1/20 0.59
OPRM1 P35372 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.47

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
Xetoaminol C SCHEMBL5271731 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5268271 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
Xetoaminol C SCHEMBL3190206 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6865653 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5275118 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6863016 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6865655 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5654343 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5276312 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5268617 0.98 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57169440-A None JP disclosed
US-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives VIRUN, INC. 2010-02-18 US disclosed
EP-0576445-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS. SILVANI ANTINCENDI SPA (IT) 1994-01-05 EP disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed
JP-S57169440-A PREPARATION OF ARYLACETONE DERIVATIVE OTA SEIYAKU KK 1982-10-19 JP 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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives TAAR5, PDE3A, PDE2A SPHK1 842/4885TRPV1 211/4885TRPA1 34/4885

“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.