SCHEMBL1932046

SCHEMBL1932046

CCCCCCNC1CCCCC1NCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60
FUCA1 P04066 8/20 0.50
GNAI3 P08754 2/20 0.50
GNAO1 P09471 2/20 0.50
GNAI1 P63096 2/20 0.50
PIM1 P11309 1/20 0.49
NAAA Q02083 1/20 0.47
GBA1 P04062 6/20 0.47
EPHX1 P07099 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
SCHEMBL6278007 1.00 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8580603 1.00 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL1931621 1.00 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8580607 1.00 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8580608 1.00 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL3433087 0.98 S1PR1 (0.57) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL1517549 0.91 S1PR1 (0.50) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL19373685 0.91 S1PR1 (0.50) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8890392 0.88 S1PR1 (0.54) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL7609638 0.88 S1PR1 (0.54) S1PR1S1PR3FUCA1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
US-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 US disclosed
US-7964695-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-06-21 US disclosed
US-20110137005-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2011-06-09 US disclosed
EP-2078048-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS Albemarle Corporation (US) 2009-07-15 EP disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
US-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 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-20070270566-A1 Chain Extenders DDC, PARG, ODC1 S1PR1 4288/4885S1PR3 3807/4885FUCA1 4412/4885

“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.