SCHEMBL136891

SCHEMBL136891

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
EPHX2 P34913 1/20 0.39
SRC P12931 1/20 0.39
DRD2 P14416 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
ERN1 O75460 2/20 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
SCHEMBL137412 0.91 ABL1 (0.46) ABL1RIN1L3MBTL1ALDH1A1CYP1A2
SCHEMBL134607 0.91 ABL1 (0.47) ABL1RIN1L3MBTL1ALDH1A1RECQL
SCHEMBL139334 0.90 PTGDR2 (0.47) ALDH1A1CYP1A2CYP2C19PTGDR2ESR1
SCHEMBL137443 0.89 ALDH1A1 (0.50) ABL1RIN1ALDH1A1CYP1A2CYP2C19
SCHEMBL12900596 0.87 SRC (0.42) ABL1RIN1L3MBTL1ALDH1A1SRC
SCHEMBL137398 0.87 GAA (0.51) ABL1RIN1ALDH1A1PTGDR2SRC
SCHEMBL139367 0.86 PTGDR2 (0.50) PTGDR2
SCHEMBL137851 0.85 PTGER1 (0.43) ALDH1A1PTGDR2LMNAERN1
SCHEMBL137361 0.85 LMNA (0.46) ALDH1A1PTGDR2LMNAERN1
SCHEMBL12197389 0.82 ABL1 (0.46) ABL1RIN1L3MBTL1RECQLPTGDR2

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-8524748-B2 Heteroalkyl biphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-09-03 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-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-10-06 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 (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 ABL1 3888/4885RIN1 4058/4885L3MBTL1 4576/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885L3MBTL1 4576/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885L3MBTL1 4576/4885
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 4317/4885RIN1 4416/4885L3MBTL1 3176/4885

“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.