SCHEMBL827602

SCHEMBL827602

COc1cc2c(C)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
SLC9A1 P19634 3/20 0.43
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 3/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL28020760 0.81 CA2 (0.57) SLC9A1CYP1A2CA2ALDH1A1MAPK1
SCHEMBL806604 0.75 PLAU (0.55) PLAUSLC9A1CYP2A6CYP1A2CA2
SCHEMBL12278845 0.75 MAPT (0.37) CYP2A6CYP1A2CA2ALDH1A1MAPK1
SCHEMBL31425959 0.74 PLAU (0.53) PLAUSLC9A1CYP2A6CYP1A2ALDH1A1
SCHEMBL23980486 0.72 PLAU (0.51) PLAUSLC9A1CYP2A6CYP1A2ALDH1A1
SCHEMBL10689841 0.72 PLAU (0.51) PLAUSLC9A1CYP2A6CYP1A2ALDH1A1
SCHEMBL30617314 0.72 PLAU (0.51) PLAUSLC9A1CYP2A6CYP1A2ALDH1A1
SCHEMBL16361159 0.72 PLAU (0.56) PLAUSLC9A1CYP2A6CYP1A2ALDH1A1
SCHEMBL28524731 0.72 PLAU (0.56) PLAUSLC9A1CYP2A6CYP1A2CA2
SCHEMBL147625 0.71 TUBB4A (0.46) CYP2A6CYP1A2CA2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS PLAU 4718/4885SLC9A1 4303/4885CYP2A6 405/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS PLAU 4643/4885SLC9A1 4432/4885CYP2A6 560/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS PLAU 4718/4885SLC9A1 4303/4885CYP2A6 405/4885

“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.