SCHEMBL12243153

SCHEMBL12243153

CC(=O)c1ccc(CCc2ccc(CCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.56
S1PR1 P21453 1/20 0.56
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS1 P23219 2/20 0.48
PTGS2 P35354 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MAOA P21397 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9818052 0.89 KMT2A (0.73) MAOBKMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL7938515 0.88 KMT2A (0.79) MAOBKMT2AALDH1A1NPC1RAB9A
SCHEMBL54677 0.87 CES2 (0.62) MAOBKMT2AALDH1A1NPC1RAB9A
SCHEMBL1696183 0.87 CES2 (0.62) MAOBKMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL27523727 0.84 CES2 (0.59) MAOBKMT2AALDH1A1NPC1RAB9A
SCHEMBL14330470 0.83 KMT2A (0.64) MAOBKMT2ARAB9AMAPTSMN1; SMN2
Acetic Acid SCHEMBL28372390 0.82 CES2 (0.56) MAOBKMT2AALDH1A1NPC1RAB9A
SCHEMBL2354530 0.81 LMNA (0.77) MAOBKMT2AALDH1A1NPC1RAB9A
SCHEMBL15085228 0.81 HSD17B1 (0.65) MAOBKMT2ANPC1RAB9AMAPT
SCHEMBL12243325 0.81 BCL2L1 (0.65) ALDH1A1NPC1RAB9AS1PR1CES2

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 MAOB 3765/4885KMT2A 3759/4885ALDH1A1 4746/4885

“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.