SCHEMBL9800523

SCHEMBL9800523

CCOC(OCC)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
GSK3B P49841 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL11362698 0.90 CA12 (0.42) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL9004800 0.86 HDAC3 (0.46) SMN1; SMN2HTTTSHRALDH1A1HPGD
SCHEMBL10943532 0.84 CES2 (0.43) SMN1; SMN2HTTCES2CES1ALDH1A1
SCHEMBL10947299 0.84 RAB9A (0.44) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL11365700 0.83 EPHX1 (0.48) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL9160725 0.82 ALDH1A1 (0.46) SMN1; SMN2HTTCES2CES1GSK3B
SCHEMBL6426469 0.82 ESR1 (0.55) SMN1; SMN2HTTALOX15TSHRALDH1A1
SCHEMBL11362128 0.81 GSK3B (0.46) HTTCES2CES1GSK3BALOX15
SCHEMBL15309561 0.81 SLC6A2 (0.46) HTTCES2CES1GSK3BALDH1A1
SCHEMBL837583 0.81 SLC6A2 (0.46) CES2CES1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-12-05 US disclosed
EP-2650293-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-10-16 EP disclosed
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP 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-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF MET, RET, ALK SMN1; SMN2 3760/4885HTT 3178/4885CES2 672/4885

“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.