SCHEMBL5684286

SCHEMBL5684286

CCCCCCCCCCC(C)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.54
GPR84 Q9NQS5 8/20 0.48
FFAR1 O14842 1/20 0.48
LMNA P02545 2/20 0.48
OPRM1 P35372 1/20 0.46
CYP2D6 P10635 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
SMPD1 P17405 2/20 0.43

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
SCHEMBL3395181 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL1660173 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL1657081 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL17930150 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL13354063 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL3390599 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL9001382 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL5583589 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL5684475 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL5683745 1.00 SPHK1 (0.54) SPHK1GPR84FFAR1LMNAOPRM1

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
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
WO-2010053572-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-05-14 WO disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 WO disclosed
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP 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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 SPHK1 2858/4885GPR84 1568/4885FFAR1 2152/4885

“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.