SCHEMBL13844772

SCHEMBL13844772

Cc1ccc(CCCN2C(=O)CCCN2CCC(C)O)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.40
PTGER4 P35408 13/20 0.40
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13844700 0.81 PTGER2 (0.49) PTGER2PTGER4
SCHEMBL13844779 0.81 PTGER2 (0.37) PTGER2PTGER4
SCHEMBL13844773 0.80 PTGER2 (0.41) PTGER2PTGER4KMT2A
SCHEMBL13844774 0.77 PTGER2 (0.38) PTGER2PTGER4
SCHEMBL13844762 0.77 PTGER4 (0.46) PTGER2PTGER4NPC1RAB9AKMT2A
SCHEMBL13844715 0.76 PTGER2 (0.39) PTGER2PTGER4
SCHEMBL13844783 0.76 PTGER2 (0.37) PTGER2PTGER4NPC1
SCHEMBL13844697 0.75 PTGER2 (0.56) PTGER2PTGER4
SCHEMBL13844777 0.75 PTGER2 (0.43) PTGER2PTGER4KMT2A
SCHEMBL13844744 0.74 PTGER2 (0.47) PTGER2PTGER4

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-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER2 39/4885PTGER4 33/4885NPC1 3052/4885

“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.