SCHEMBL3696579

SCHEMBL3696579

Cc1cc(C)cc([Si](C)(C)c2cc(C)cc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
ACHE P22303 2/20 0.35
TPMT P51580 1/20 0.33
NOTUM Q6P988 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RAPGEF4 Q8WZA2 2/20 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
SCHEMBL9462990 0.84 ESR1 (0.52) ALDH1A1TSHRACHEKDM4EMAPT
SCHEMBL11947073 0.81 ALDH1A1 (0.39) ALDH1A1NOTUM
SCHEMBL9463327 0.80 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL26567655 0.80 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL1317229 0.75 ALDH1A1 (0.38) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL3482151 0.75 ALDH1A1 (0.43) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL3162114 0.75 ALDH1A1 (0.38) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL3482179 0.75 ALDH1A1 (0.43) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL3482385 0.75 ALDH1A1 (0.43) ALDH1A1TSHRACHETPMTNOTUM
SCHEMBL1316127 0.75 ALDH1A1 (0.38) ALDH1A1TSHRACHETPMTNOTUM

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-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 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-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, NR1H2 ALDH1A1 600/4885TSHR 2251/4885ACHE 2140/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 ALDH1A1 569/4885TSHR 189/4885ACHE 2296/4885

“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.