SCHEMBL6793192

SCHEMBL6793192

CCCC(=O)Oc1ccc(CCC)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.55
NCEH1 Q6PIU2 2/20 0.43
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
IAPP P10997 1/20 0.39
THRB P10828 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL28353394 0.89 ALOX15 (0.56) ALOX15GAANPC1RAB9AUSP2
SCHEMBL6794712 0.86 ALOX15 (0.72) ALOX15NCEH1NPC1RAB9AIAPP
SCHEMBL6742916 0.85 ALOX15 (0.52) ALOX15GAANPC1RAB9ATHRB
SCHEMBL13719980 0.83 ALDH1A1 (0.51) ALOX15GAANPC1RAB9AUSP2
SCHEMBL2817244 0.82 ALOX15 (0.62) ALOX15NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22444645 0.81 ALOX15 (0.50) ALOX15GAANPC1RAB9ATHRB
SCHEMBL7864566 0.81 ALOX15 (0.50) ALOX15GAANPC1RAB9AUSP2
SCHEMBL28349787 0.81 ALOX15 (0.53) ALOX15GABRA1GABRB2GAANPC1
SCHEMBL9404857 0.79 ALOX15 (0.67) ALOX15SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9404927 0.78 ALOX15 (0.65) ALOX15SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALOX15 622/4885NCEH1 517/4885GABRA1 4736/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885NCEH1 371/4885GABRA1 4568/4885

“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.