SCHEMBL4314726

SCHEMBL4314726

COc1ccc(Cc2ccc(I)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.68
LTA4H P09960 1/20 0.65
IDO1 P14902 3/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL27884 0.88 LTA4H (0.81) LTA4HIDO1SAE1UBA2CA12
SCHEMBL1425001 0.88 LTA4H (0.81) LTA4HIDO1SAE1UBA2CA12
Ammonia Solution, Strong SCHEMBL20919857 0.85 LTA4H (0.77) LTA4HIDO1SAE1UBA2CA12
SCHEMBL11255612 0.85
SCHEMBL24567 0.85
Propane SCHEMBL7784035 0.83 APP (0.63) APPIDO1CA12CA1CA2
Fluoride SCHEMBL25291743 0.83 CA1 (0.65) APPLTA4HIDO1CA12CA1
Iodide SCHEMBL16416364 0.83 CA1 (0.65) APPLTA4HIDO1CA12CA1
Hydrochloric Acid SCHEMBL934351 0.83 CA1 (0.65) APPLTA4HIDO1CA12CA1
Fluoride SCHEMBL25257942 0.83 CA1 (0.65) APPLTA4HIDO1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
CN-110015952-B Diaryl methane compound and preparation method and application thereof 北京大学深圳研究生院 2022-08-19 CN disclosed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
EP-1002817-B1 Photocurable composition SHOWA DENKO KK (JP) 2004-04-28 EP disclosed
EP-0915136-B1 Photocurable paint composition for road markings SHOWA DENKO KK (JP) 2004-01-21 EP disclosed
US-6486225-B1 Photocurable composition SHOWA DENKO KABUSHIKI KAISHA (JP) 2002-11-26 US disclosed
US-6211260-B1 MARKING ROADS WITH CURABLE PAINT, FILLERS, GLASS BEADS, CATIONIC DYES AND QUATERNARY ORGANIC BORATES SHOWA DENKO K.K. (JP) 2001-04-03 US disclosed
EP-1002817-A2 Photocurable composition SHOWA DENKO KABUSHIKI KAISHA (JP) 2000-05-24 EP disclosed
EP-0915136-A1 Photocurable paint composition for road markings SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-05-12 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S APP 1631/4885LTA4H 1/4885IDO1 500/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S APP 1631/4885LTA4H 1/4885IDO1 500/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S APP 1631/4885LTA4H 1/4885IDO1 500/4885

“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.