SCHEMBL2201833

SCHEMBL2201833

CC=CC(CCCCCCCCCCCC)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
FFAR1 O14842 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
LAP3 P28838 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL20550607 0.84 FPR2 (0.39) GPR84CA2CA1EPHX1MAPT
SCHEMBL20550608 0.84 FPR2 (0.39) GPR84CA2CA1EPHX1MAPT
SCHEMBL9804391 0.84 CA1 (0.38) CA2CA1CYP3A4GRIK1GRIK2
SCHEMBL5331360 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29374045 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5047820 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5047825 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5331357 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28737196 0.83 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11331229 0.82 FAAH (0.44) GPR84CA2CA1FFAR1EPHX1

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 GPR84 378/4885CA2 166/4885CA1 145/4885

“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.