SCHEMBL4898458

SCHEMBL4898458

COc1ccc([C](c2ccc(CCC(=O)O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.69
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
F2RL1 P55085 1/20 0.60
PDE4B Q07343 1/20 0.57
SRD5A2 P31213 1/20 0.56
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
FFAR4 Q5NUL3 1/20 0.54
MAPT P10636 2/20 0.54
LDHA P00338 1/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30792366 0.91 FFAR1 (0.81) FFAR1NPC1RAB9AF2RL1LMNA
SCHEMBL274471 0.91 FFAR1 (0.81) FFAR1NPC1RAB9AF2RL1LMNA
SCHEMBL1566761 0.86 FFAR1 (0.73) FFAR1NPC1RAB9AF2RL1LMNA
Anisole SCHEMBL31387002 0.86 FFAR1 (0.74) FFAR1NPC1RAB9AF2RL1SRD5A2
Anisole SCHEMBL30496784 0.83 FFAR1 (0.70) FFAR1NPC1RAB9AF2RL1SRD5A2
SCHEMBL7868896 0.82 NPC1 (0.83) FFAR1NPC1RAB9AF2RL1PDE4B
SCHEMBL14531442 0.82 FFAR1 (0.59) FFAR1NPC1RAB9AF2RL1PDE4B
SCHEMBL28647901 0.82 NPC1 (0.69) FFAR1NPC1RAB9AF2RL1L3MBTL1
SCHEMBL5250063 0.82 FFAR1 (1.00) FFAR1NPC1RAB9AF2RL1LMNA
SCHEMBL5702383 0.82 FFAR1 (0.68) FFAR1NPC1RAB9AF2RL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080248584-A1 Biopolymer ionization; liquid chromatography OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-10-09 US disclosed
EP-1700116-A1 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-09-13 EP disclosed
US-20060022129-A1 Peptide mass spectrometry rich in daughter ions OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-02-02 US disclosed
EP-1600776-A2 Peptide mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-11-30 EP disclosed
WO-2005057207-A1 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-06-23 WO 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-20080248584-A1 Biopolymer ionization; liquid chromatography F12, F13B, F13A1 FFAR1 4779/4885NPC1 4179/4885RAB9A 3368/4885

“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.