SCHEMBL4950469

SCHEMBL4950469

CC(C)[Si](Cl)(C#Cc1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
HTR2A P28223 1/20 0.41
GRM5 P41594 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL8992379 0.80 APP (0.50) APPHTR2AGRM5NPC1RAB9A
SCHEMBL9011423 0.78 APP (0.48) APPHTR2AGRM5NPC1RAB9A
SCHEMBL31387703 0.78 APP (0.48) APPHTR2AGRM5NPC1RAB9A
SCHEMBL10606190 0.70 APP (0.55) APPGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3885779 0.70 APP (0.55) APPGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL563613 0.70 APP (0.55) APPGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL6562608 0.69 APP (0.42) APPHTR2AGRM5NPC1RAB9A
SCHEMBL6563926 0.69 APP (0.42) APPHTR2AGRM5NPC1RAB9A
SCHEMBL6564255 0.69 APP (0.42) APPHTR2AGRM5NPC1RAB9A
SCHEMBL26104862 0.69 APP (0.61) APPGRM5NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319129-B2 Silsesquioxane derivative and process for producing the same CHISSO CORPORATION (JP) 2008-01-15 US disclosed
US-7053167-B2 Silsesquioxane derivative having functional group CHISSO CORPORATION (JP) 2006-05-30 US disclosed
US-20060089504-A1 Silsesquioxane derivative having functional group ITO KENYA 2006-04-27 US disclosed
US-20060052623-A1 Having two cyclotetrasiloxne rings connected by O-Si groups obtained through hydrolysis and condensation of trifunctional hydrolyzable silicon compounds; functionalization; fireproofing, thermostability, weathproofing, photostability, dielectric, hardness, strength and chemical resistance CHISSO CORPORATION (JP) 2006-03-09 US disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 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 (2 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-20060052623-A1 Having two cyclotetrasiloxne rings connected by O-Si groups obtained through hydrolysis and condensation of trifunctional hydrolyzable silicon compounds; functionalization; fireproofing, thermostability, weathproofing, photostability, dielectric, hardness, strength and chemical resistance STS, PFAS, POLQ APP 1929/4885HTR2A 1781/4885GRM5 3387/4885
US-20060089504-A1 Silsesquioxane derivative having functional group SFXN1, STS, SRM APP 4459/4885HTR2A 2668/4885GRM5 1657/4885

“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.