SCHEMBL2206547

SCHEMBL2206547

CCCCC#CC#CCCCCCCCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
EPHX1 P07099 1/20 0.55
HMGCR P04035 2/20 0.53
PTPN7 P35236 1/20 0.48
SELP P16109 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL31124925 0.98 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2205868 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2205799 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2200462 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2205033 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2208525 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2200542 0.95 DNM1 (0.62) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21294356 0.91 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2205961 0.91 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
Ethylenediamine SCHEMBL4875803 0.91 PTPN7 (0.53) DNM1MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981968-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-19 US disclosed
US-7750084-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method for manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-06 US disclosed
US-20090253870-A1 Photoresponsive polymer,built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-10-08 US disclosed
EP-1431266-B1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM JAPAN SCIENCE & TECH AGENCY (JP) 2006-07-19 EP disclosed
US-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-17 US disclosed
EP-1431266-A1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM Japan Science and Technology Agency (JP) 2004-06-23 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 (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-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them MUC1, DNAH12, ACMSD DNM1 1893/4885MEN1 2860/4885KMT2A 989/4885

“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.