SCHEMBL5231249

SCHEMBL5231249

COc1cc(I)cc(OC)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ CYP3A4 P08684 5/20 0.38
▸ MAPT P10636 3/20 0.36
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TTR P02766 1/20 0.33

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
SCHEMBL15183446 0.87 CYP3A4 (0.38) RXFP1MEN1KMT2AACHECYP3A4
SCHEMBL27743867 0.80 MAPT (0.38) ACHECYP3A4MAPTCA9CA12
SCHEMBL210358 0.78 ACHE (0.59) MEN1KMT2AACHECYP3A4MAPT
SCHEMBL24327418 0.77 ACHE (0.36) ACHECYP3A4MAPTCA9CA12
SCHEMBL2611542 0.77 ACHE (0.65) RXFP1MEN1KMT2AACHECYP3A4
SCHEMBL27091758 0.76 KDM4E (0.47) RXFP1MEN1KMT2ACYP3A4MAPT
SCHEMBL4120491 0.76 PKM (0.52) KMT2ACYP3A4MAPTCA9CA12
SCHEMBL1458153 0.76 GAA (0.38) ACHECYP3A4MAPTCA9CA12
SCHEMBL2388340 0.76 MAPT (0.46) CYP3A4MAPTCA1CA2CA4
SCHEMBL15183455 0.75 ACHE (0.50) ACHECYP3A4MAPTCA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588582-B A kind of photocatalytic synthesis method of trans stilbene class compound 浙江工业大学 2019-05-24 — — CN disclosed
EP-3046902-B1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2018-08-08 — — EP disclosed
CN-106588582-A Light-catalyzed synthesis method of trans-stilbene compound 浙江工业大学 2017-04-26 — — CN disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 — — US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 — — US disclosed
EP-3046902-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS Vectus Biosystems Limited (AU) 2016-07-27 — — EP disclosed
WO-2015039172-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS PTY LTD (AU) 2015-03-26 — — WO disclosed
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 — — US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 — — US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 — — US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 — — US 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH RXFP1 3053/4885MEN1 460/4885KMT2A 933/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 RXFP1 1828/4885MEN1 1195/4885KMT2A 822/4885
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 RXFP1 97/4885MEN1 2469/4885KMT2A 4000/4885

“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.

Send feedback