SCHEMBL6845943

SCHEMBL6845943

Cc1ccc(C(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
ACHE P22303 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NLRP1 Q9C000 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6848493 0.89 PGK1 (0.32)
SCHEMBL6845944 0.78 TSHR (0.39) CYP3A4CYP2D6CYP2C19
SCHEMBL5494536 0.77 ACHE (0.44) CHRNA7ACHETDP1CYP19A1ALDH1A1
SCHEMBL1579897 0.77 CHRNA7 (0.37) CHRNA7ACHETDP1CYP19A1ALDH1A1
SCHEMBL17442484 0.70 LMNA (0.36) TDP1ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL839864 0.69 CHRNA7 (0.41) CHRNA7ACHETDP1CYP19A1ALDH1A1
SCHEMBL11213578 0.68 ACHE (0.44) CHRNA7ACHETDP1CYP19A1ALDH1A1
SCHEMBL6848491 0.67
SCHEMBL11205216 0.65 ALDH1A1 (0.38) CHRNA7ACHETDP1CYP19A1ALDH1A1
SCHEMBL29262216 0.64 CHRNA7 (0.41) CHRNA7ACHETDP1CYP19A1ALDH1A1

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-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US claimed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US claimed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20040082803-A1 Trichlorosilyl groups containing organochlorosilanes and their preparation methods by the double-silylation of olefins with trichlorosilane KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-04-29 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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 (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-20040082803-A1 Trichlorosilyl groups containing organochlorosilanes and their preparation methods by the double-silylation of olefins with trichlorosilane CBR1, OXSR1, HCCS CHRNA7 1590/4885ACHE 4320/4885TDP1 3583/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CHRNA7 4481/4885ACHE 3245/4885TDP1 3811/4885

“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.