SCHEMBL839989

SCHEMBL839989

COC(=O)[C@@H](O)COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
SMYD2 Q9NRG4 3/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TSHR P16473 1/20 0.32
GHSR Q92847 1/20 0.32
ABL1 P00519 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
SCHEMBL839988 1.00 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2KMT2AADRB2
SCHEMBL838897 0.88 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL7898284 0.88 KMT2A (0.39) CYP3A4HTTSMN1; SMN2KMT2AADRB2
SCHEMBL734737 0.86 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2KMT2AADRB2
SCHEMBL839957 0.80 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL839958 0.80 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL13250794 0.79 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2KMT2ASMYD2
SCHEMBL20475256 0.79 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2KMT2ASMYD2
SCHEMBL22557768 0.78 SMN1; SMN2 (0.38) CYP3A4HTTSMN1; SMN2SMYD2KDM4E
SCHEMBL5685150 0.78 ESRRB (0.39) CYP3A4HTTSMN1; SMN2KMT2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 CYP3A4 1716/4885HTT 2010/4885SMN1; SMN2 3257/4885

“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.