SCHEMBL3904584

SCHEMBL3904584

CCCCCCCCOc1ccc(C=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
ESR1 P03372 7/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5454603 1.00 FDPS (0.51) FDPSESR1THRATHRBS1PR2
SCHEMBL5449465 0.98 FDPS (0.53) FDPSESR1THRATHRBS1PR2
SCHEMBL5440983 0.94 FDPS (0.54) FDPSESR1THRATHRBALDH1A1
SCHEMBL5447154 0.89 FDPS (0.56) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL8373569 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5053914 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL2948173 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL10497454 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL10497979 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1
SCHEMBL10497561 0.87 FDPS (0.63) FDPSALDH1A1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 EP disclosed
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO 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 (3 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 FDPS 2345/4885ESR1 911/4885THRA 1209/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 FDPS 2950/4885ESR1 820/4885THRA 1032/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 FDPS 2155/4885ESR1 220/4885THRA 344/4885

“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.