SCHEMBL196847

SCHEMBL196847

CC(C)(C)[Si](C)(C)c1ccc(-c2ccc([Si](C)(C)C(C)(C)C)cn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
P4HA1 P13674 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL198353 0.78 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL195553 0.75 CCR1 (0.48) NR1H2NR1H3CCR1CCR5CCR8
SCHEMBL4381210 0.71 CCR1 (0.44) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL19256277 0.70 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL988411 0.69 NR1H2 (0.52) NR1H2NR1H3KDM4E
SCHEMBL12488594 0.67 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL196876 0.67 NR1H2 (0.50) NR1H2NR1H3KDM4ENPSR1
SCHEMBL19257007 0.67 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL9137368 0.67 KIF11 (0.41) NR1H2NR1H3KDM4E
SCHEMBL197285 0.67 CCR1 (0.39) NR1H2NR1H3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 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 (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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 NR1H2 3025/4885NR1H3 3117/4885CCR1 510/4885

“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.