SCHEMBL839231

SCHEMBL839231

C#CC(=O)c1cccc(OCc2ccc(COc3cccc(C(=O)C#C)c3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.60
MAOB P27338 6/20 0.58
MAOA P21397 2/20 0.57
F2 P00734 2/20 0.56
SMPD1 P17405 5/20 0.56
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
SRD5A2 P31213 1/20 0.54
PTPN1 P18031 1/20 0.52

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
SCHEMBL12045711 0.92 NR4A2 (0.59) NR4A2MAOBMAOAF2SMPD1
SCHEMBL12045750 0.86 NR4A2 (0.59) NR4A2MAOBMAOASMPD1NR4A1
SCHEMBL12045718 0.85 NR4A2 (0.45) NR4A2MAOBMAOASMPD1SRD5A2
SCHEMBL12045722 0.85 KMT2A (0.53) NR4A2MAOBSMPD1
SCHEMBL840149 0.83 PRSS1 (0.55) NR4A2MAOBSMPD1
SCHEMBL851175 0.80 PARP10 (0.61) NR4A2MAOBMAOAF2NR4A1
SCHEMBL12045708 0.80 PARP10 (0.61) NR4A2MAOBMAOAF2NR4A1
SCHEMBL12045720 0.80 L3MBTL1 (0.52) MAOBF2
SCHEMBL978691 0.80 NR4A2 (0.72) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL30413542 0.80 NR4A2 (0.72) NR4A2MAOBSMPD1SRD5A2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455590-B2 Modified triaroylbenzene-skeleton polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-8455590-B2 Modified triaroylbenzene-skeleton polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-20110319551-A1 MODIFIED TRIAROYLBENZENE-SKELETON POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-29 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20060247410-A1 Soluble branched triaroylbenzene-based polymer and its synthetic method HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-11-02 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 (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-20110319551-A1 MODIFIED TRIAROYLBENZENE-SKELETON POLYMER F12, FLNB, F3 NR4A2 2945/4885MAOB 140/4885MAOA 702/4885

“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.