SCHEMBL12243237

SCHEMBL12243237

CC(=O)c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)on2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.50
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
S1PR5 Q9H228 5/20 0.44
S1PR3 Q99500 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SCD5 Q86SK9 2/20 0.43
SCD O00767 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DHODH Q02127 1/20 0.42
S1PR4 O95977 1/20 0.41

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
SCHEMBL12243261 0.89 S1PR1 (0.56) S1PR1ABCB1ABCC1S1PR5S1PR3
SCHEMBL2353237 0.88 S1PR1 (0.48) S1PR1ABCB1ABCC1S1PR5S1PR3
SCHEMBL12243119 0.88 S1PR1 (0.45) S1PR1ABCB1ABCC1S1PR5S1PR3
SCHEMBL11136357 0.80 HDAC8 (0.54) S1PR1NPC1RAB9AKMT2AMEN1
SCHEMBL11961393 0.79 NPC1 (0.65) ABCB1ABCC1NPC1RAB9AKMT2A
SCHEMBL11961405 0.79 NPC1 (0.67) ABCB1ABCC1NPC1RAB9AKMT2A
SCHEMBL11355979 0.79 PTPN1 (0.56) ABCB1ABCC1NPC1RAB9AALDH1A1
SCHEMBL14356463 0.79 HSD17B1 (0.57) ABCB1ABCC1NPC1RAB9AALDH1A1
SCHEMBL13445251 0.78 HDAC8 (0.59) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL15081033 0.78 HDAC8 (0.59) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 S1PR1 661/4885ABCB1 3294/4885ABCC1 1817/4885

“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.