SCHEMBL2368650

SCHEMBL2368650

CCCCOc1ccc(-c2cc(-c3ccc(C(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc3)[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.55
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP19A1 P11511 2/20 0.51
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RET P07949 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42

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
SCHEMBL12243305 0.96 ALPL (0.50) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2353593 0.86 ALPL (0.71) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2368455 0.84 ALPL (0.68) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2367633 0.83 RARB (0.60) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12243212 0.83 ALPL (0.60) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7329944 0.83 ALPL (0.67) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2349458 0.83 ALPL (0.67) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2368000 0.81 RARB (0.64) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7334165 0.81 RARB (0.64) ALPLCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7331649 0.81 RARB (0.62) CYP1A2CYP2D6CYP2C9CYP2C19MAPT

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 3 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
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP 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 ALPL 1963/4885CYP1A2 4371/4885CYP2D6 4428/4885

“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.