SCHEMBL4140918

SCHEMBL4140918

CCOC1N(C)C(c2ccccc2)=NN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 16/20 0.42
▸ ALDH1A1 P00352 15/20 0.42
▸ MEN1 O00255 14/20 0.42
▸ KMT2A Q03164 14/20 0.42
▸ MAPT P10636 13/20 0.42
▸ GLA P06280 13/20 0.42
▸ TDP1 Q9NUW8 11/20 0.42
▸ GAA P10253 9/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ L3MBTL1 Q9Y468 8/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ATM Q13315 2/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL4123873 0.85 HPGD (0.42) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL4132330 0.83 ALDH1A1 (0.40) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL4131065 0.74 ALDH1A1 (0.40) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL1784958 0.71 ALDH1A1 (0.40) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL19139217 0.68 MEN1 (0.44) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL22859762 0.67 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL22509268 0.65 PDGFRB (0.50) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL12994700 0.65 CACNA1G (0.38) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL17503347 0.64 HRH4 (0.39) HPGDMEN1KMT2AMAPTKDM4E
SCHEMBL12643213 0.63 KDM4E (0.35) HPGDALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044013-B1 PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2013-05-29 — — EP disclosed
US-20090192328-A1 PROCESS FOR PRODUCING 2-HYDROXY-4-(METHLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 — — 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 (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-20090192328-A1 PROCESS FOR PRODUCING 2-HYDROXY-4-(METHLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF HAO2, BBOX1, HAO1 HPGD 213/4885ALDH1A1 35/4885MEN1 1652/4885

“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.

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