SCHEMBL2562583

SCHEMBL2562583

COc1ccc(CC2=CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL27884 0.81 LTA4H (0.81) LTA4HIDO1AGXTCA12CA1
SCHEMBL1425001 0.81 LTA4H (0.81) LTA4HIDO1AGXTCA12CA1
SCHEMBL2562715 0.81 TAAR1 (0.55) IDO1TAAR1SIGMAR1
Ammonia Solution, Strong SCHEMBL20919857 0.79 LTA4H (0.77) LTA4HIDO1AGXTCA12CA1
SCHEMBL2563224 0.78 CALM1 (0.61) TAAR1SIGMAR1ALOX15
SCHEMBL21994566 0.76 LTA4H (0.59) LTA4HIDO1AGXTCA12CA1
SCHEMBL24321390 0.75 LTA4H (0.71) LTA4HIDO1AGXTCA12CA1
SCHEMBL22451382 0.75 LTA4H (0.71) LTA4HIDO1AGXTCA12CA1
SCHEMBL6059611 0.75 LTA4H (0.71) LTA4HIDO1AGXTCA12CA1
SCHEMBL9235879 0.75 LTA4H (0.71) LTA4HIDO1AGXTCA12CA1

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 LTA4H 1014/4885IDO1 2328/4885AGXT 1887/4885

“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.