SCHEMBL6848845

SCHEMBL6848845

OCc1ccc(-c2ccccc2-c2nnnn2Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.60
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6361627 0.89 P2RX7 (0.60) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL16872261 0.89 P2RX7 (0.60) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL12173045 0.87 P2RX7 (0.59) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL6848781 0.87 P2RX7 (0.59) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL6847838 0.87 ERCC5 (0.53) P2RX7ALDH1A1LMNAHTTL3MBTL1
SCHEMBL6360839 0.87 P2RX7 (0.62) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL16950041 0.84 P2RX7 (0.53) P2RX7KMT2AALDH1A1HDAC6
SCHEMBL6849394 0.84 P2RX7 (0.55) P2RX7KMT2AALDH1A1HDAC6TRPA1
SCHEMBL6850540 0.81 P2RX7 (0.50) P2RX7KMT2AALDH1A1HDAC6
SCHEMBL2795911 0.81 PPARG (0.50) P2RX7KMT2AALDH1A1LMNAHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902385-B1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND API CORP (JP) 2019-01-09 EP disclosed
EP-2891650-B1 METHOD FOR PRODUCING BIARYL COMPOUND API CORP (JP) 2018-08-01 EP disclosed
US-9624181-B2 Method for producing biaryl compound API CORPORATION (JP) 2017-04-18 US disclosed
US-9624181-B2 Method for producing biaryl compound API CORPORATION (JP) 2017-04-18 US disclosed
US-9624181-B2 Method for producing biaryl compound API CORPORATION (JP) 2017-04-18 US disclosed
US-9527821-B2 Deprotection method for tetrazole compound API CORPORATION (JP) 2016-12-27 US disclosed
US-20150239854-A1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND API CORPORATION (JP) 2015-08-27 US disclosed
US-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND API CORPORATION (JP) 2015-08-27 US disclosed
US-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND API CORPORATION (JP) 2015-08-27 US disclosed
US-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND API CORPORATION (JP) 2015-08-27 US disclosed
EP-2891650-A1 METHOD FOR PRODUCING BIARYL COMPOUND API Corporation (JP) 2015-07-08 EP disclosed
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
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
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
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 (3 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-20150239853-A1 METHOD FOR PRODUCING BIARYL COMPOUND MLX, BMX, BRIX1 P2RX7 409/4885KMT2A 1435/4885ALDH1A1 1281/4885
US-20150239854-A1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND AGTR2, AGTR1, REN P2RX7 864/4885KMT2A 1824/4885ALDH1A1 1137/4885
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE P2RX7 1307/4885KMT2A 1260/4885ALDH1A1 906/4885

“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.