SCHEMBL3039929

SCHEMBL3039929

CCCCCCOc1ccc(CNCCCN2CCCC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
CD274 Q9NZQ7 3/20 0.58
S1PR2 O95136 2/20 0.55
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 2/20 0.55
LPAR2 Q9HBW0 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.49
LTA4H P09960 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ACACB O00763 1/20 0.45
DRD4 P21917 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
SCHEMBL5092343 0.99 KMT2A (0.67) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL5099092 0.93 KMT2A (0.60) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL5098402 0.91 KMT2A (0.62) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL14197918 0.90 KMT2A (0.64) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL5098986 0.87 CD274 (0.66) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL5099726 0.86 CD274 (0.61) KMT2AMEN1CD274S1PR1S1PR3
SCHEMBL14287686 0.86 KMT2A (0.63) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL14287671 0.85 MEN1 (0.69) KMT2AMEN1CD274
SCHEMBL5105512 0.81 MEN1 (0.77) KMT2AMEN1CD274SMN1; SMN2
SCHEMBL5105141 0.81 CD274 (0.54) KMT2AMEN1CD274S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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 (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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 KMT2A 1154/4885MEN1 1608/4885CD274 2657/4885

“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.