SCHEMBL13844701

SCHEMBL13844701

Cc1cccc(OCCN2C(=O)CCCN2CCC(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
RCE1 Q9Y256 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
TP53 P04637 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL13844763 0.87 ALDH1A1 (0.43) POLBL3MBTL1KDM4ERAB9AKMT2A
SCHEMBL13844816 0.82 RAB9A (0.44) L3MBTL1KDM4ERAB9AKMT2ATDP1
SCHEMBL13844815 0.82 RAB9A (0.44) L3MBTL1KDM4ERAB9AKMT2ATDP1
SCHEMBL13844765 0.82 PTGER4 (0.38) L3MBTL1RAB9AKMT2ANPC1PTGER4
SCHEMBL13844753 0.81 PTGER4 (0.52) RAB9ANPC1PTGER4PTGER2
SCHEMBL13844762 0.80 PTGER4 (0.46) KDM4ERAB9AKMT2ANPC1ALDH1A1
SCHEMBL13844703 0.78 PTGER4 (0.41) POLBSMN1; SMN2PTGER4PTGER2
SCHEMBL15075237 0.77 POLB (0.69) POLBL3MBTL1KDM4ERAB9AKMT2A
SCHEMBL13844764 0.74 NPC1 (0.46) KDM4ERAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL13844697 0.74 PTGER2 (0.56) SMN1; SMN2PTGER4PTGER2

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 POLB 3909/4885L3MBTL1 1886/4885KDM4E 1919/4885

“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.