SCHEMBL6848898

SCHEMBL6848898

COc1cc(Cn2nnnc2-c2ccccc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
ALDH1A1 P00352 5/20 0.49
POLB P06746 4/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL12172999 0.87 ALDH1A1 (0.60) P2RX7ALDH1A1POLBHTTTSHR
SCHEMBL6357061 0.80 P2RX7 (0.56) P2RX7ALDH1A1POLBHTTTSHR
SCHEMBL6358318 0.80 P2RX7 (0.61) P2RX7ALDH1A1POLBHTTTSHR
SCHEMBL6362679 0.79 NR1H2 (0.57) P2RX7ALDH1A1POLBHTTTSHR
SCHEMBL4403732 0.78 P2RX7 (0.81) P2RX7ALDH1A1POLBHTTHDAC6
SCHEMBL6361740 0.77 P2RX7 (0.65) P2RX7ALDH1A1HTTTSHRHDAC6
SCHEMBL6357253 0.77 POLB (0.78) P2RX7ALDH1A1POLBHTTTSHR
SCHEMBL9199730 0.76 KDM4E (0.44) P2RX7ALDH1A1HTTTSHRKDM4E
SCHEMBL6362202 0.76 P2RX7 (0.68) P2RX7ALDH1A1POLBHTTHDAC6
SCHEMBL28370344 0.75 GAA (0.41) ALDH1A1POLBHTTHDAC6HPGD

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-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
WO-2011061996-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE 田辺三菱製薬株式会社 (JP) 2011-05-26 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-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE P2RX7 1307/4885ALDH1A1 906/4885POLB 2060/4885

“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.