SCHEMBL5899035

SCHEMBL5899035

C[Si](C)(C)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.63
CYP2C9 P11712 12/20 0.63
CYP2C19 P33261 12/20 0.63
LMNA P02545 2/20 0.63
HSP90AA1 P07900 1/20 0.63
CYP19A1 P11511 1/20 0.63
CYP11B1 P15538 1/20 0.63
CYP11B2 P19099 1/20 0.63
ADRA1A P35348 1/20 0.63
CYP51A1 Q16850 1/20 0.63
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP3A7 P24462 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP3A43 Q9HB55 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.51
CYP1A2 P05177 6/20 0.50
CYP2D6 P10635 6/20 0.50
KCNH2 Q12809 3/20 0.43
HDAC3 O15379 1/20 0.41

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
SCHEMBL8664103 0.93 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL8662192 0.90 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL8664769 0.86 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL8990025 0.85 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10296786 0.84 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL6937753 0.82 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL4798487 0.82 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10296768 0.82 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL14193100 0.80 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL14193097 0.80 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707976-A FUNGICIDES, 2-SILYLOXYPROPYLIMIDAZOLE OR TRIAZOLE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1998-01-13 US claimed
US-7094904-B2 Process for preparing monohydrate and crystal modifications of fluconazole RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2006-08-22 US disclosed
EP-1373227-B1 PROCESS FOR PREPARING FLUCONAZOLE AND ITS CRYSTAL MODIFICATIONS RICHTER GEDEON VEGYESZET (HU) 2005-11-09 EP disclosed
US-20040106804-A1 Process for preparing monohydrate and crystal modifications of fluconazole RICHTER GEDEON VEGYESZETI GYAR RT. 2004-06-03 US disclosed
EP-1373227-A1 PROCESS FOR PREPARING FLUCONAZOLE AND ITS CRYSTAL MODIFICATIONS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-01-02 EP disclosed
WO-2002076955-A1 PROCESS FOR PREPARING FLUCONAZOLE AND ITS CRYSTAL MODIFICATIONS RICHTER GEDEON VEGYESZÉTI GYÁR RT. (HU) 2002-10-03 WO disclosed
US-5707976-A FUNGICIDES, 2-SILYLOXYPROPYLIMIDAZOLE OR TRIAZOLE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1998-01-13 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-20040106804-A1 Process for preparing monohydrate and crystal modifications of fluconazole ERG28, CYP2F1, SI CYP3A4 16/4885CYP2C9 36/4885CYP2C19 168/4885

“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.