SCHEMBL989989

SCHEMBL989989

CC(C)(C)[Si](C)(C)c1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.42
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAOB P27338 1/20 0.34
KLF10 Q13118 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MGAM O43451 1/20 0.31
SLC6A4 P31645 2/20 0.31
RIPK1 Q13546 1/20 0.31
NOTUM Q6P988 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL21271532 0.80 RIPK1 (0.31) RIPK1
SCHEMBL28722082 0.79 THRB (0.36) RIPK1
SCHEMBL9206225 0.79 APOBEC3G (0.48) APOBEC3GPDCD1CD274MAOBCYP4F2
SCHEMBL9379910 0.76 APOBEC3G (0.38) APOBEC3GPDCD1CD274KLF10
SCHEMBL9031926 0.74 PTGDR2 (0.37) KLF10SLC6A4
SCHEMBL8700614 0.73
SCHEMBL18796166 0.72 ALDH1A1 (0.43) NR1H2NR1H3GABRA1GABRB2
SCHEMBL30959818 0.72 ESR1 (0.45) APOBEC3GPDCD1CD274CYP4F2CYP4A11
SCHEMBL2006522 0.72 ESR1 (0.45) APOBEC3GPDCD1CD274CYP4F2CYP4A11
SCHEMBL6943654 0.72 CYP4F2 (0.36) APOBEC3GPDCD1CD274CYP4F2CYP4A11

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
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 APOBEC3G 4884/4885PDCD1 602/4885CD274 974/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 APOBEC3G 3881/4885PDCD1 753/4885CD274 1537/4885

“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.