SCHEMBL4565148

SCHEMBL4565148

CC(Oc1ccc(CC(=O)O)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.73
S1PR5 Q9H228 2/20 0.58
S1PR1 P21453 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.54
ALOX5 P09917 1/20 0.54
LTB4R Q15722 6/20 0.53
LTB4R2 Q9NPC1 6/20 0.53
SRD5A2 P31213 1/20 0.50
AKR1B1 P15121 1/20 0.50
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL27662594 1.00 FFAR1 (0.73) FFAR1S1PR5S1PR1PTGDR2ALOX5
SCHEMBL27662443 1.00 FFAR1 (0.73) FFAR1S1PR5S1PR1PTGDR2ALOX5
SCHEMBL25033296 0.83 SRD5A2 (0.57) FFAR1SRD5A2AKR1B1CNR2POLB
SCHEMBL11661233 0.82 FFAR1 (0.66) FFAR1S1PR5S1PR1PTGDR2ALOX5
SCHEMBL961317 0.81 POLB (0.73) FFAR1SRD5A2AKR1B1CNR2POLB
SCHEMBL10565666 0.81 FFAR1 (0.50) FFAR1S1PR5S1PR1PTGDR2SRD5A2
SCHEMBL11490486 0.81 SRD5A2 (0.50) FFAR1SRD5A2AKR1B1CNR2POLB
SCHEMBL6744396 0.81 FFAR1 (0.56) FFAR1S1PR5S1PR1ALOX5LTB4R
SCHEMBL6904351 0.80 FFAR1 (0.61) FFAR1S1PR5S1PR1ALOX5LTB4R
SCHEMBL7713616 0.80 POLB (0.56) FFAR1SRD5A2AKR1B1CNR2POLB

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 FFAR1 153/4885S1PR5 721/4885S1PR1 887/4885

“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.