SCHEMBL136787

SCHEMBL136787

CCNCc1cc(C)ccc1-c1cc(CC(=O)OC)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
TLR7 Q9NYK1 4/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC9A1 P19634 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL137041 0.88 PDK2 (0.40) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL137267 0.88 PDK2 (0.41) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL134609 0.86 PTGDR2 (0.47) GAAPTGDR2TLR7ABL1RIN1
SCHEMBL136515 0.86 PTGDR2 (0.52) PDK2PTGDR2
SCHEMBL134626 0.81 PTGDR2 (0.42) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL137987 0.81 HSP90AB1 (0.36) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL12900613 0.81 NLRP3 (0.41) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL137192 0.81 SLC7A5 (0.40) PDK2ALDH1A1GAAGFERMAPT
SCHEMBL137399 0.80 SRC (0.41) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL135903 0.80 PTGDR2 (0.46) GAAPTGDR2ABL1RIN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDK2 1107/4885ALDH1A1 2005/4885GAA 3904/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDK2 1107/4885ALDH1A1 2005/4885GAA 3904/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDK2 1107/4885ALDH1A1 2005/4885GAA 3904/4885

“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.