SCHEMBL20150591

SCHEMBL20150591

C=CCOc1ccc(CCCCCC)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HTR2A P28223 1/20 0.45
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20150590 0.99 LTA4H (0.47) LTA4HHTR2AS1PR2S1PR1S1PR3
SCHEMBL7791938 0.84 GRIN2D (0.40) LTA4HHTR2AS1PR2S1PR1S1PR3
SCHEMBL7791941 0.84 GRIN2D (0.40) LTA4HHTR2AS1PR2S1PR1S1PR3
SCHEMBL7791209 0.83 GRIN2D (0.41) LTA4HHTR2AS1PR2S1PR1S1PR3
SCHEMBL7791211 0.83 GRIN2D (0.41) LTA4HHTR2AS1PR2S1PR1S1PR3
SCHEMBL10523570 0.81 RARB (0.45) LTA4HSMN1; SMN2MEN1KMT2A
SCHEMBL9818048 0.81 SMPD1 (0.51) HTR2AS1PR2S1PR1S1PR3LPAR2
SCHEMBL9399009 0.81 SMN1; SMN2 (0.50) HTR2AS1PR2S1PR1S1PR3LPAR2
SCHEMBL19796690 0.81 BIRC5 (0.44) HTR2AS1PR2S1PR1S1PR3LPAR2
SCHEMBL27574511 0.80 GAA (0.39) HTR2AHTR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134960-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-05-17 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-20180134960-A1 LIQUID-CRYSTAL MEDIUM FES, POF1B, FOXO3 LTA4H 4010/4885HTR2A 2253/4885S1PR2 3515/4885

“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.