SCHEMBL6052971

SCHEMBL6052971

COc1ccc(CCCCCOP(=O)(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.55
S1PR3 Q99500 4/20 0.55
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CALM1 P0DP23 1/20 0.51
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX5 P09917 1/20 0.48
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
S1PR4 O95977 3/20 0.47
S1PR5 Q9H228 2/20 0.47
S1PR2 O95136 1/20 0.47
F2RL1 P55085 1/20 0.45
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45

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
SCHEMBL13313190 0.81 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL11442816 0.81 CALM1 (0.54) S1PR1S1PR3CALM1IGF1RALOX15
SCHEMBL4943606 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL7692985 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL26908448 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL29758247 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL10459319 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL2437208 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL10533195 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1
SCHEMBL26908453 0.80 LPAR1 (0.55) S1PR1S1PR3L3MBTL1LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060250-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
US-20040202613-A1 Chelate compounds EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-10-14 US disclosed
US-20020164289-A1 Medical diagnosis CITIZENS BANK, N.A. 2002-11-07 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 (2 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-20020164289-A1 Medical diagnosis FABP1, B2M, MB S1PR1 898/4885S1PR3 780/4885TDP1 3359/4885
US-20040202613-A1 Chelate compounds FABP1, BHMT, FABP3 S1PR1 1043/4885S1PR3 769/4885TDP1 3139/4885

“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.