SCHEMBL2563003

SCHEMBL2563003

C1=C(CCCCCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL2559363 0.98 MAOA (0.54) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL2564648 0.93 HTR2A (0.52) SIGMAR1MAOAMAOB
SCHEMBL2564071 0.83 MAOA (0.48) MAOAMAOB
SCHEMBL1433686 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL676854 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL6546948 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8085946 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8095284 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8094527 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL1226782 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1

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-9072293-B2 Cyclopropenes and method for applying cyclopropenes to agricultural products or crops ERUM BIOTECHNOLOGIES INC. (KR) 2015-07-07 US disclosed
CN-102843906-B Cyclopropene compounds and methods of adding the compounds to agricultural crops ERUM BIOTECHNOLOGIES INC 2015-07-01 CN disclosed
EP-2561754-A2 CYCLOPROPENE COMPOUND, AND METHOD FOR ADDING SAME TO CROPS Erum Biotechnologies Inc. (KR) 2013-02-27 EP disclosed
CN-102843906-A Cyclopropene compounds and methods of adding the compounds to agricultural crops ERUM BIOTECHNOLOGIES INC 2012-12-26 CN disclosed
US-20120322662-A1 CYCLOPROPENES AND METHOD FOR APPLYING CYCLOPROPENES TO AGRICULTURAL PRODUCTS OR CROPS ERUM BIOTECHNOLOGIES INC. (KR) 2012-12-20 US disclosed
WO-2011132888-A2 CYCLOPROPENE COMPOUND, AND METHOD FOR ADDING SAME TO CROPS (주) 이룸바이오테크놀러지 (KR) 2011-10-27 WO 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-20120322662-A1 CYCLOPROPENES AND METHOD FOR APPLYING CYCLOPROPENES TO AGRICULTURAL PRODUCTS OR CROPS GLA, PFAS, AMY1A SIGMAR1 4473/4885MAOA 151/4885MAOB 175/4885

“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.