SCHEMBL4498508

SCHEMBL4498508

CC(=O)CCNCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.66
ALDH1A1 P00352 1/20 0.61
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
S1PR5 Q9H228 1/20 0.56
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9261769 0.89 ALDH1A1 (0.66) SIGMAR1ALDH1A1KMT2A
SCHEMBL13917983 0.86 S1PR1 (0.75) SIGMAR1S1PR1S1PR3L3MBTL1S1PR5
Hydrochloric Acid SCHEMBL9501568 0.84 S1PR1 (0.73) SIGMAR1S1PR1S1PR3L3MBTL1S1PR5
SCHEMBL19438565 0.83 SIGMAR1 (0.61) SIGMAR1S1PR1S1PR3L3MBTL1S1PR5
SCHEMBL10766680 0.83 SIGMAR1 (0.66) SIGMAR1S1PR1S1PR3L3MBTL1S1PR5
SCHEMBL10468745 0.82 HDAC3 (0.71) SIGMAR1S1PR1S1PR3L3MBTL1S1PR5
SCHEMBL13917989 0.81 L3MBTL1 (0.81) SIGMAR1L3MBTL1
SCHEMBL110777 0.81 ALDH1A1 (0.76) ALDH1A1L3MBTL1
SCHEMBL4254894 0.81 SIGMAR1 (1.00) SIGMAR1
SCHEMBL30849612 0.81 S1PR1 (0.71) SIGMAR1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840731-B2 Preservation of biological materials in non-aqueous fluid media GENTEGRA, LLC (US) 2017-12-12 US disclosed
US-20150267245-A1 PRESERVATION OF BIOLOGICAL MATERIALS IN NON-AQUEOUS FLUID MEDIA GENTEGRA, LLC (US) 2015-09-24 US disclosed
WO-2014197090-A2 PRESERVATION OF BIOLOGICAL MATERIALS IN NON-AQUEOUS FLUID MEDIA GENTEGRA, LLC (US) 2014-12-11 WO disclosed
WO-2014055936-A1 PRESERVATION OF BIOLOGICAL MATERIALS IN NON-AQUEOUS FLUID MEDIA INTEGENX INC. (US) 2014-04-10 WO disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 EP 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E SIGMAR1 983/4885ALDH1A1 2263/4885S1PR1 1312/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E SIGMAR1 1535/4885ALDH1A1 840/4885S1PR1 1297/4885

“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.