SCHEMBL2170785

SCHEMBL2170785

COC(=O)CCCCc1ccc(OCCBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
LTA4H P09960 2/20 0.49
PLA2G4A P47712 1/20 0.47
S1PR1 P21453 4/20 0.47
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
GBA1 P04062 1/20 0.44

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
SCHEMBL2159817 0.96 LTA4H (0.50) FFAR1LTA4HPLA2G4AS1PR1S1PR3
SCHEMBL28549048 0.90 ADRB2 (0.54) FFAR1LTA4HLMNAL3MBTL1ADRB2
SCHEMBL28397849 0.89 LTA4H (0.49) FFAR1LTA4HS1PR1S1PR3S1PR5
SCHEMBL7037985 0.88 ADRB2 (0.53) FFAR1LTA4HLMNAL3MBTL1ADRB2
SCHEMBL14376292 0.87 L3MBTL1 (0.61) FFAR1LTA4HPLA2G4ALMNAL3MBTL1
SCHEMBL4944581 0.87 ADRB2 (0.52) FFAR1LTA4HLMNAL3MBTL1ADRB2
SCHEMBL13478955 0.86 FFAR1 (0.50) FFAR1LTA4HPLA2G4AS1PR1S1PR3
SCHEMBL14375690 0.86 FFAR1 (0.50) FFAR1LTA4HS1PR1S1PR3S1PR5
SCHEMBL3257411 0.84 FFAR1 (0.66) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL28588481 0.84 LMNA (0.56) FFAR1LTA4HPLA2G4ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318781-B2 G-protein-conjugated receptor agonist JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-27 US disclosed
US-8318781-B2 G-protein-conjugated receptor agonist JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-27 US disclosed
US-8318781-B2 G-protein-conjugated receptor agonist JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-27 US disclosed
US-20110184031-A1 G-Protein-Conjugated Receptor Agonist KYOTO UNIVERSITY (JP) 2011-07-28 US disclosed
US-20110184031-A1 G-Protein-Conjugated Receptor Agonist KYOTO UNIVERSITY (JP) 2011-07-28 US disclosed
US-20110184031-A1 G-Protein-Conjugated Receptor Agonist KYOTO UNIVERSITY (JP) 2011-07-28 US disclosed
EP-2151236-A1 G-PROTEIN-CONJUGATED RECEPTOR AGONIST Japan Science and Technology Agency (JP) 2010-02-10 EP 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-20110184031-A1 G-Protein-Conjugated Receptor Agonist GPR119, GPR3, GPR39 FFAR1 36/4885LTA4H 1804/4885PLA2G4A 1320/4885

“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.