SCHEMBL9915916

SCHEMBL9915916

OC(CCCc1ccccc1)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
GRIK1 P39086 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
SLC18A3 Q16572 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL9915930 0.81 KDM6B (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9899639 0.81 KDM6B (0.40)
SCHEMBL4123098 0.81 IDO1 (0.46) SIGMAR1SLC18A3SLC6A3TRPA1MAOA
SCHEMBL9915921 0.80 GRIK1 (0.40) NLRP3GRIK1HDAC3HDAC1HDAC2
SCHEMBL9900014 0.79 HPGD (0.41) TRPA1
SCHEMBL5254415 0.78 SLC18A3 (0.39) SIGMAR1SLC18A3
SCHEMBL31357687 0.78 SLC18A3 (0.39) SIGMAR1SLC18A3MAPK1
SCHEMBL15094197 0.78 ALDH1A1 (0.41) SIGMAR1SLC18A3
SCHEMBL3175280 0.77 SLC18A3 (0.41) SIGMAR1SLC18A3MAPK1TRPA1MAOA
SCHEMBL9901072 0.77 LTB4R (0.44) GRIK1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 NLRP3 1438/4885GRIK1 927/4885SIGMAR1 1215/4885

“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.