SCHEMBL137399

SCHEMBL137399

COC(=O)Cc1ccc(F)c(-c2ccc(C)cc2C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LMNA P02545 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
MAPT P10636 3/20 0.36
SLC9A1 P19634 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL134607 0.85 ABL1 (0.47) SRCPDK2ALDH1A1GAAGFER
SCHEMBL137125 0.85 PDK2 (0.43) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL136787 0.80 PDK2 (0.38) PDK2ALDH1A1GAAGFERCYP4F2
SCHEMBL137041 0.80 PDK2 (0.40) PDK2ALDH1A1GAAGFERCYP4F2
SCHEMBL137683 0.79 SLC7A5 (0.42) SRCPDK2ALDH1A1GAAGFER
SCHEMBL137267 0.78 PDK2 (0.41) PDK2ALDH1A1GAAGFERCYP4F2
SCHEMBL24410146 0.77 ALDH1A1 (0.49) PDK2ALDH1A1GAAGFERCYP4F2
SCHEMBL12900596 0.77 SRC (0.42) SRCALDH1A1ABL1RIN1MAPT
SCHEMBL136891 0.76 ABL1 (0.46) SRCALDH1A1GAALMNAABL1
SCHEMBL12388545 0.76 ERN1 (0.51) ALDH1A1LMNAMAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
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
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 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 (4 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 SRC 4380/4885PDK2 1107/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SRC 4380/4885PDK2 1107/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SRC 4380/4885PDK2 1107/4885ALDH1A1 2005/4885
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SRC 4231/4885PDK2 418/4885ALDH1A1 2464/4885

“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.