SCHEMBL4090113

SCHEMBL4090113

O=C(Cl)CCN1c2ccccc2Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.56
HDAC3 O15379 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
HDAC4 P56524 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
HDAC1 Q13547 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL31461256 0.84 MAPT (0.60) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL179725 0.84 MAPT (0.60) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL12311071 0.82 P2RX4 (0.59) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL8345041 0.79 MAPT (0.55) P2RX4HDAC3HDAC6TUBB4ATUBB
Phosphonic Acid SCHEMBL5566523 0.79 MAPT (0.55) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL23668266 0.78 MAPT (0.51) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL31461255 0.78 MAPT (0.51) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL27452810 0.78 MAPT (0.54) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL182920 0.77 HDAC3 (0.55) P2RX4HDAC3HDAC6TUBB4ATUBB
SCHEMBL16156854 0.76 SIGMAR1 (0.41) P2RX4HDAC3HDAC6TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US disclosed
US-20050128561-A1 Electrochromic compound UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-20050128562-A1 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-6870657-B1 Electrochromic device UNIVERSITY COLLEGE DUBLIN (IE) 2005-03-22 US disclosed
EP-1500969-A1 Compound and its use in electrochromic devices UNIVERSITY COLLEGE DUBLIN (IE) 2005-01-26 EP disclosed
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP disclosed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 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-20080167465-A1 Electrochromic compound KCNH2, PRDM9, H1-10 P2RX4 444/4885HDAC3 342/4885HDAC6 1975/4885

“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.