SCHEMBL4928249

SCHEMBL4928249

COc1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CASP3 P42574 1/20 0.54
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50

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
SCHEMBL2564990 0.89 CASP3 (0.53) HTTKMT2ACASP3UTS2R
SCHEMBL18669155 0.83 KMT2A (0.75) HTTKDM4EMEN1ALDH1A1POLB
SCHEMBL4854039 0.80 NR1H3 (0.62) HTTALDH1A1MAPTKMT2ACASP3
SCHEMBL14165342 0.79 KMT2A (0.44) HTTKDM4EMEN1ALDH1A1POLB
SCHEMBL14165572 0.79 KDM4E (0.45) HTTKDM4EPOLBKMT2AL3MBTL1
SCHEMBL15906128 0.78 HTT (0.50) HTTKDM4EPOLBMAPTMAPK1
SCHEMBL10926180 0.78 CASP3 (0.56) HTTMAPTHPGDMAPK1KMT2A
SCHEMBL6336921 0.77 CASP3 (0.58) HTTKDM4EMEN1ALDH1A1POLB
SCHEMBL2030026 0.77 ALDH1A1 (0.55) HTTKDM4EMEN1ALDH1A1POLB
SCHEMBL3024201 0.77 CASP3 (0.58) HTTKDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — US disclosed
US-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — US disclosed
US-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — 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 (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-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers CBR3, CBR1, KCNQ3 HTT 1591/4885KDM4E 1082/4885MEN1 1701/4885

“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.

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