SCHEMBL9918802

SCHEMBL9918802

COc1ccc(CNCC(OC)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
ERAP2 Q6P179 1/20 0.56
CHRM2 P08172 1/20 0.56
DNM1 Q05193 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GPR35 Q9HC97 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14363867 0.90 ANPEP (0.51) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL24400255 0.84 ANPEP (0.52) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL12205665 0.83 CHRM2 (0.48) ANPEPERAP2CHRM2DNM1PKM
SCHEMBL23367774 0.83 ANPEP (0.58) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL121529 0.82 CHRM2 (0.70) CHRM2ALDH1A1PKMHTTGAA
SCHEMBL17238292 0.81 ANPEP (0.56) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL14218498 0.81 ANPEP (0.65) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL3709824 0.81 ANPEP (0.56) ANPEPERAP2CHRM2DNM1ALDH1A1
Hydrochloric Acid SCHEMBL30945857 0.81 ANPEP (0.56) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL1411918 0.81 PYCR1 (0.50) ANPEPERAP2DNM1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 CN disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ANPEP 2984/4885ERAP2 3479/4885CHRM2 4865/4885

“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.