SCHEMBL2564648

SCHEMBL2564648

C1=C(CCCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
SIGMAR1 Q99720 4/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 2/20 0.46
IDO1 P14902 1/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 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
SCHEMBL2559363 0.95 MAOA (0.54) HTR2ASIGMAR1MAOAMAOB
SCHEMBL2563003 0.93 SIGMAR1 (0.54) SIGMAR1MAOAMAOB
SCHEMBL2564071 0.85 MAOA (0.48) HTR2AMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL54347 0.82 HTR2A (0.70) HTR2ASIGMAR1MAOAMAOBIDO1
Ammonia Solution, Strong SCHEMBL8817973 0.79 HTR2A (0.67) HTR2ASIGMAR1MAOAMAOBIDO1
SCHEMBL29268834 0.79 HTR2A (0.67) HTR2ASIGMAR1MAOAMAOBIDO1
SCHEMBL10354668 0.79 HTR2A (0.67) HTR2ASIGMAR1MAOAMAOBIDO1
SCHEMBL10831414 0.79 HTR2A (0.67) HTR2ASIGMAR1MAOAMAOBIDO1
SCHEMBL9069707 0.79 HTR2A (0.75) HTR2ASIGMAR1MAOAMAOBIDO1
SCHEMBL28353517 0.76 HTR2A (0.64) HTR2ASIGMAR1MAOAMAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622482-B2 Methods for increasing oil palm yield VALENT BIOSCIENCES CORPORATION (US) 2017-04-18 US disclosed
WO-2015175402-A1 METHODS FOR INCREASING OIL PALM YIELD VALENT BIOSCIENCES CORPORATION (US) 2015-11-19 WO disclosed
US-20150320048-A1 METHODS FOR INCREASING OIL PALM YIELD VALENT BIOSCIENCES LLC 2015-11-12 US disclosed
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 HTR2A 2777/4885SIGMAR1 4473/4885MAOA 151/4885

“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.