SCHEMBL3319813

SCHEMBL3319813

CC[Si](C#Cc1c2sc3ccc(Br)cc3c2c(C#C[Si](CC)(CC)CC)c2sc3ccc(Br)cc3c12)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.33
▸ PIM3 Q86V86 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CDK8 P49336 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
SCHEMBL13335334 0.83 HRH4 (0.31) HRH4
SCHEMBL10045614 0.80 L3MBTL1 (0.38) PIM1PIM2HTT
SCHEMBL13335339 0.79 HTR1D (0.34) —
SCHEMBL17010965 0.70 CYP2A6 (0.40) PIM1PIM2HRH4PIM3CYP2A6
SCHEMBL9949673 0.70 CYP2A6 (0.42) PIM1PIM2HRH4PIM3CYP2A6
SCHEMBL3842558 0.69 — —
SCHEMBL15853288 0.68 ATM (0.35) —
SCHEMBL12278087 0.66 GRM5 (0.31) —
SCHEMBL17426122 0.66 GRM5 (0.31) —
SCHEMBL13335311 0.66 ALDH1A1 (0.34) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100117066-A1 Organic Semiconductors MERCK PATENT GMBH (DE) 2010-05-13 — — US disclosed
US-20100117066-A1 Organic Semiconductors MERCK PATENT GMBH (DE) 2010-05-13 — — 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-20100117066-A1 Organic Semiconductors DBF4, DDT, SOAT1 PIM1 1570/4885PIM2 1574/4885HRH4 1816/4885

“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.

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