SCHEMBL136530

SCHEMBL136530

CCNCc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 2/20 0.32
THRB P10828 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ACLY P53396 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL137672 0.92 MAPT (0.41) PTGS2MAPTALDH1A1KDM4EHPGD
SCHEMBL137634 0.89 PTGS2 (0.44) PTGS2MAPTALDH1A1KDM4EHPGD
SCHEMBL137987 0.87 HSP90AB1 (0.36) HSP90AB1MAPTALDH1A1KDM4EHPGD
SCHEMBL150632 0.85 PTGDR2 (0.42) MAPTKDM4ETDP1CYP1A2CYP3A4
SCHEMBL137192 0.84 SLC7A5 (0.40) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL137643 0.84 CETP (0.40) HSP90AB1LMNATHRB
SCHEMBL16501847 0.82 CYP11B1 (0.47) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL137952 0.82 PTGDR2 (0.35) HSP90AB1PTGS2MAPTKDM4ECYP3A4
SCHEMBL134992 0.82 MAPT (0.40) MAPTHPGDMEN1KMT2A
SCHEMBL136380 0.81 CYP11B1 (0.42) ALDH1A1KDM4EHPGDTHRBMEN1

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 HSP90AB1 2237/4885PTGS2 11/4885MAPT 4866/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885PTGS2 11/4885MAPT 4866/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885PTGS2 11/4885MAPT 4866/4885

“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.