SCHEMBL4243060

SCHEMBL4243060

CCN1C(=O)COCC1Cc1ccc(Oc2ccc(Nc3ncccc3C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CASP3 P42574 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
P2RX3 P56373 13/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.40
BCL6 P41182 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
SCHEMBL4240890 0.90 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4233414 0.90 HPGD (0.48) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13763256 0.88 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4520034 0.88 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4237406 0.84 MAPT (0.44) CYP2C9CYP2C19CYP3A4ALDH1A1NPC1
SCHEMBL13854964 0.83 P2RX3 (0.33) P2RX3
SCHEMBL4241402 0.83 PDE10A (0.42)
SCHEMBL4236486 0.82 P2RX3 (0.33) P2RX3
SCHEMBL4514207 0.81 HPGD (0.50) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4238213 0.80 BCL6 (0.42) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US claimed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 HPGD 1311/4885CYP1A2 19/4885CYP2D6 23/4885

“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.