SCHEMBL2201502

SCHEMBL2201502

CCCCCCCCCCCCC#CC#CCCCCCCCCCC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.72
▸ PTPN7 P35236 4/20 0.67
▸ SELP P16109 1/20 0.58
▸ SOAT1 P35610 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ FAAH O00519 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ EPHX2 P34913 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
SCHEMBL1918073 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2182049 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL4225757 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2180780 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL4231623 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2181335 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL3796753 0.96 PTPN7 (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL4453291 0.96 PTPN7 (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL12477833 0.93 HMGCR (0.86) HMGCRPTPN7MEN1KMT2AKDM4E
Tetradecanamide SCHEMBL12477585 0.93 HMGCR (0.86) HMGCRPTPN7MEN1KMT2AKDM4E

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 HMGCR 4829/4885PTPN7 4346/4885SELP 3571/4885

“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.

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