SCHEMBL1314780

SCHEMBL1314780

C#CCCCOc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.52
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL9338906 0.94 ABCG2 (0.52) ABCG2CA12CA9MAOAMAOB
SCHEMBL1315553 0.92 ABCG2 (0.52) ABCG2MAOAMAOBDRD2DRD4
SCHEMBL387869 0.90 CYP1A2 (0.46) ABCG2DRD2DRD4DRD3MEN1
SCHEMBL9340756 0.81 ABCG2 (0.51) ABCG2CA12CA9MAOAMAOB
SCHEMBL10338308 0.80 MEN1 (0.60) DRD2DRD4DRD3MEN1LMNA
SCHEMBL9338923 0.80 ABCG2 (0.44) ABCG2CA12CA9CYP1A2CYP2D6
SCHEMBL25433144 0.80 DRD2 (0.53) CA12CA9MAOAMAOBDRD2
SCHEMBL5540265 0.80 KDM4E (0.46) DRD2DRD4DRD3MEN1LMNA
SCHEMBL9786397 0.80 MAPT (0.50) CA12CA9MAOAMAOBDRD2
SCHEMBL10394871 0.80 LTA4H (0.53) CA12CA9MAOAMAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO disclosed
US-5070207-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-03 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 ABCG2 3548/4885CA12 4670/4885CA9 3939/4885

“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.