SCHEMBL588585

SCHEMBL588585

C#CCCCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9628543 0.97 MAPT (0.39) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL7613149 0.92
SCHEMBL6720442 0.79
SCHEMBL4219194 0.77 CYP1A2 (0.37) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL20390547 0.74 MGAM (0.31)
SCHEMBL1062616 0.74
SCHEMBL12677766 0.72 TSHR (0.46) MAPTALDH1A1CYP3A4
SCHEMBL4234450 0.71 MGAM (0.33)
SCHEMBL12677847 0.71 MGAM (0.33)
SCHEMBL2520528 0.71 MAPT (0.55) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436824-B1 Low dielectric constant materials for copper damascene CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2002-08-20 US claimed
EP-1753746-B8 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2012-02-15 EP disclosed
EP-1753746-B1 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2011-07-27 EP disclosed
US-7906501-B2 Pyrrole derivatives with angiotensin II antagonist activity ROTTAPHARM S.P.A. (IT) 2011-03-15 US disclosed
US-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity ROTTAPHARM BIOTECH S.R.L. (IT) 2007-10-18 US disclosed
EP-1753746-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2007-02-21 EP disclosed
WO-2005105789-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2005-11-10 WO disclosed
US-6436824-B1 Low dielectric constant materials for copper damascene CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2002-08-20 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-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity AGTR2, AGTR1, REN CYP1A2 2807/4885CYP2D6 2450/4885MAPT 3465/4885

“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.