SCHEMBL15426554

SCHEMBL15426554

CCCOC(=O)CCOc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CHRNB2 P17787 5/20 0.53
CHRNA4 P43681 5/20 0.53
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
FAAH O00519 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
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
SCHEMBL15429530 0.87 CHRNB2 (0.50) KMT2ACHRNB2CHRNA4
SCHEMBL30178403 0.84 TBXAS1 (0.56) KMT2ACHRNB2CHRNA4TSHRFAAH
SCHEMBL171896 0.82 CHRNB2 (0.68) KMT2ACHRNB2CHRNA4TSHRMAPK1
SCHEMBL30338591 0.82 CHRNB2 (0.68) KMT2ACHRNB2CHRNA4TSHRMAPK1
SCHEMBL11034681 0.82 TBXAS1 (0.60) KMT2ACHRNB2CHRNA4NPC1LMNA
SCHEMBL12480735 0.82 TBXAS1 (0.60) KMT2ACHRNB2CHRNA4NPC1LMNA
SCHEMBL6253085 0.81 CHRNB2 (0.58) KMT2ACHRNB2CHRNA4TSHRFAAH
SCHEMBL16673237 0.81 ALDH1A1 (0.58) KMT2ALMNACYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7207615 0.81 CHRNB2 (0.66) KMT2ACHRNB2CHRNA4TSHRMAPK1
SCHEMBL15429528 0.80 CHRNB2 (0.56) KMT2ACHRNB2CHRNA4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115070-B2 Process for preparing acrylic acid from ethylene oxide and carbon monoxide BASF SE (DE) 2015-08-25 US disclosed
US-20140018570-A1 PROCESS FOR PREPARING ACRYLIC ACID FROM ETHYLENE OXIDE AND CARBON MONOXIDE BASF SE (DE) 2014-01-16 US disclosed
US-20140018574-A1 PROCESS FOR PREPARING ACRYLIC ACID BY A THERMOLYSIS OF POLY-3-HYDROXYPROPIONATE CATALYZED BY AT LEAST ONE MOLECULAR ACTIVE COMPOUND BASF SE (DE) 2014-01-16 US 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 (2 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-20140018570-A1 PROCESS FOR PREPARING ACRYLIC ACID FROM ETHYLENE OXIDE AND CARBON MONOXIDE HPD, HAAO, HAO2 KMT2A 2773/4885CHRNB2 2148/4885CHRNA4 1949/4885
US-20140018574-A1 PROCESS FOR PREPARING ACRYLIC ACID BY A THERMOLYSIS OF POLY-3-HYDROXYPROPIONATE CATALYZED BY AT LEAST ONE MOLECULAR ACTIVE COMPOUND HPD, HAAO, GRHPR KMT2A 1819/4885CHRNB2 3696/4885CHRNA4 3377/4885

“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.