SCHEMBL15912486

SCHEMBL15912486

COC(=O)c1ccc(F)cc1Oc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.49
SLC6A3 Q01959 3/20 0.44
PLA2G2A P14555 1/20 0.43
HPGD P15428 2/20 0.43
SLC6A4 P31645 1/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NR4A2 P43354 1/20 0.40
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL15897499 0.89 SCN8A (0.47) FFAR4SLC6A3PLA2G2AHPGDKMT2A
SCHEMBL1741581 0.85 SLC6A3 (0.51) FFAR4SLC6A3PLA2G2AHPGDSLC6A4
SCHEMBL15912480 0.85 MAOB (0.46) HPGDKMT2ALMNAALDH1A1CYP1A2
SCHEMBL1957793 0.85 CYP1A2 (0.48) FFAR4SLC6A3SLC6A4KMT2AHTT
SCHEMBL4521411 0.84 KDM4E (0.50) SLC6A3HPGDKMT2AMEN1LMNA
SCHEMBL15897450 0.84 AKR1C3 (0.43) KDM4EAKR1C3AKR1C2AKR1A1AKR1B1
SCHEMBL1959280 0.83 FFAR4 (0.44) FFAR4SLC6A3PLA2G2AHPGDSLC6A4
SCHEMBL21359388 0.83 HSD17B10 (0.48) SLC6A3PLA2G2AHPGDSLC6A4KMT2A
SCHEMBL1958840 0.83 MAPK1 (0.44) FFAR4
SCHEMBL26647783 0.82 KDM4E (0.48) SLC6A3HPGDKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 FFAR4 79/4885SLC6A3 3498/4885PLA2G2A 16/4885

“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.