SCHEMBL330049

SCHEMBL330049

CO[Si](OC)(OC)C(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP17A1 P05093 5/20 0.37
CYP19A1 P11511 5/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL235152 0.85 ESR1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL27147585 0.79 CYP17A1 (0.34) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL140535 0.79 TRPA1 (0.39) KMT2AALDH1A1KDM4ECYP2D6HPGD
SCHEMBL760246 0.77 ESR1 (0.52) CYP3A4CYP2C19SLC6A2SLC6A3KDM4E
SCHEMBL329530 0.77 CYP17A1 (0.38) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL928392 0.76 ESR1 (0.30)
SCHEMBL927965 0.76 ESR1 (0.30)
SCHEMBL929334 0.76 ESR1 (0.30)
SCHEMBL27866274 0.76 CYP1A2 (0.35) GAACYP19A1ALDH1A1KDM4ECYP1A2
SCHEMBL27849335 0.76 ACACB (0.33) CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407507-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR CORP (JP) 2016-09-28 EP disclosed
US-20150099414-A1 ORGANOSILICON COMPOUND, MAKING METHOD, ADHESIVE COMPOSITION, AND ARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-04-09 US disclosed
EP-2407507-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR Corporation (JP) 2012-01-18 EP disclosed
US-20110319519-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR CORPORATION (JP) 2011-12-29 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-20150099414-A1 ORGANOSILICON COMPOUND, MAKING METHOD, ADHESIVE COMPOSITION, AND ARTICLE EPCAM, SI, ILK CYP3A4 533/4885CYP2C19 496/4885GAA 2024/4885

“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.