SCHEMBL4565149

SCHEMBL4565149

CC(Oc1ccccc1CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.54
LTB4R2 Q9NPC1 4/20 0.54
CXCL8 P10145 2/20 0.50
CFD P00746 3/20 0.49
TPSB2 P20231 3/20 0.49
F11 P03951 2/20 0.49
FFAR1 O14842 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
AKR1B1 P15121 1/20 0.46
RORC P51449 2/20 0.45
CHRM1 P11229 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CAMK2A Q9UQM7 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
SCHEMBL4565147 1.00 LTB4R (0.54) LTB4RLTB4R2CXCL8CFDTPSB2
SCHEMBL16410220 0.86 CHRM1 (0.52) LTB4RLTB4R2CXCL8CFDTPSB2
SCHEMBL23229157 0.85 CXCL8 (0.54) CXCL8CFDTPSB2F11L3MBTL1
SCHEMBL3941649 0.85 CXCL8 (0.54) CXCL8CFDTPSB2F11L3MBTL1
SCHEMBL9027265 0.83 ADRA2A (0.54) LTB4RLTB4R2FFAR1L3MBTL1RORC
SCHEMBL7986709 0.83 LTB4R (0.48) LTB4RLTB4R2CFDTPSB2F11
SCHEMBL7986710 0.83 LTB4R (0.48) LTB4RLTB4R2CFDTPSB2F11
SCHEMBL10922629 0.81 CXCL8 (0.50) CXCL8CFDTPSB2F11L3MBTL1
SCHEMBL24200105 0.81 CXCL8 (0.50) LTB4RLTB4R2CXCL8CFDTPSB2
SCHEMBL8086435 0.81 CXCL8 (0.50) LTB4RLTB4R2CXCL8CFDTPSB2

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-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 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-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA LTB4R 471/4885LTB4R2 358/4885CXCL8 1666/4885

“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.