SCHEMBL4594031

SCHEMBL4594031

CC(C)[Si](OC(CCc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 5/20 0.36
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
HMGCR P04035 1/20 0.34
OPRK1 P41145 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL6628296 0.90 TSHR (0.42) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL4594734 0.88 CYP1A2 (0.41) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL4595161 0.85 CYP1A2 (0.40) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL4595876 0.85 GAA (0.40) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL6631339 0.78 TSHR (0.44) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL4595157 0.77 TSHR (0.41) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL4595692 0.76 GAA (0.44) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL6632059 0.76 GAA (0.43) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL6633226 0.74 GAA (0.34) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
SCHEMBL6631754 0.74 ALDH1A1 (0.34) CYP1A2CYP3A4TSHRCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417209-B1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORP (US) 2008-01-16 EP claimed
EP-1417209-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS Crompton Corporation (US) 2004-05-12 EP claimed
US-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-04-03 US claimed
WO-2003014130-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORPORATION (US) 2003-02-20 WO claimed
US-6475347-B1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION 2002-11-05 US claimed
EP-1417209-B1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORP (US) 2008-01-16 EP disclosed
EP-1417209-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS Crompton Corporation (US) 2004-05-12 EP disclosed
US-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-04-03 US disclosed
WO-2003014130-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORPORATION (US) 2003-02-20 WO disclosed
US-6475347-B1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION 2002-11-05 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-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers ROS1, POLR1A, ACP1 CYP1A2 3803/4885CYP3A4 4080/4885TSHR 4270/4885

“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.