SCHEMBL4722745

SCHEMBL4722745

CCCCCC(c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL5851068 0.86 FFAR1 (0.42) GPR84
SCHEMBL22819103 0.85 NR1I2 (0.38) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL21101056 0.85 NR1I2 (0.38) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL25866564 0.85 NR1I2 (0.38) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL20372779 0.83 NR1I2 (0.37) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL19198110 0.83 NR1I2 (0.37) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL20098207 0.83 NR1I2 (0.37) CSNK1EKCNH2ALDH1A1GAAGPR84
SCHEMBL5694337 0.83 CSNK1E (0.38) CSNK1ECNR2ALDH1A1GAAGPR84
SCHEMBL4178697 0.81 NR1I2 (0.40) CSNK1ECNR2GAAGPR84
SCHEMBL22794936 0.81 GPR84 (0.37) CSNK1EMEN1KMT2ANPSR1KCNH2

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
EP-1306380-B1 NOVEL EXPANDED PORPHYRINS AND PROCESS FOR THE SYNTHESIS THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-12-17 EP disclosed
US-6822092-B2 LARGER CYCLIC NITROGEN-NETWORK, RED-SHIFTED ABSORPTION BANDS, MORE FLEXIBLE CONFORMATION OF THE MACROCYCLES, AND COORDINATION ABILITY OF MORE THAN TWO METAL IONS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-11-23 US disclosed
US-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2003-08-28 US disclosed
EP-1306380-A1 NOVEL EXPANDED PORPHYRINS AND PROCESS FOR THE SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2003-05-02 EP 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-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof AAAS, PAM, AHR CSNK1E 3307/4885CNR2 1817/4885MEN1 952/4885

“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.