SCHEMBL17880649

SCHEMBL17880649

C=C(O)OC(=O)C(C)CSc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
FKBP1A P62942 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17880630 0.88 MTNR1A (0.49) HPGDL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL12240328 0.84 HPGD (0.49) HPGDUSP2L3MBTL1CA1CA2
SCHEMBL12240333 0.79 HPGD (0.49) HPGDUSP2L3MBTL1CA1CA2
SCHEMBL17131545 0.76 HPGD (0.49) HPGDUSP2L3MBTL1CA1CA2
SCHEMBL28023324 0.75 HPGD (0.45) HPGDUSP2L3MBTL1ALDH1A1RAB9A
SCHEMBL29128149 0.72 ESRRB (0.47) CA1CA2CA7CA9MTNR1A
SCHEMBL17131531 0.72 HPGD (0.36) HPGDUSP2L3MBTL1CA1CA2
SCHEMBL4720208 0.71 HPGD (0.46) HPGDUSP2L3MBTL1CA1CA2
SCHEMBL12264721 0.71 MTNR1A (0.51) CA1CA2CA4CA7CA9
SCHEMBL3175997 0.69 MTNR1A (0.51) HPGDMTNR1AMTNR1BALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185804-A1 SILANE AND SILICIC ACID (HETERO)POLYCONDENSATE HAVING AROMATIC COMPOUNDS LINKED VIA COUPLING GROUPS WHICH ARE SUITABLE AS OR FOR MATRIX SYSTEMS HAVING HIGH TRANSLUCENCY AND GOOD MECHANICAL PROPERTIES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2016-06-30 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-20160185804-A1 SILANE AND SILICIC ACID (HETERO)POLYCONDENSATE HAVING AROMATIC COMPOUNDS LINKED VIA COUPLING GROUPS WHICH ARE SUITABLE AS OR FOR MATRIX SYSTEMS HAVING HIGH TRANSLUCENCY AND GOOD MECHANICAL PROPERTIES NR4A1, SMC4, NR4A2 HPGD 2356/4885USP2 4228/4885L3MBTL1 777/4885

“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.