SCHEMBL4465341

SCHEMBL4465341

CCC(c1ccccc1O)[Si](OC)(OC)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.39
TYR P14679 1/20 0.39
ACHE P22303 1/20 0.39
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TP53 P04637 1/20 0.35
RORC P51449 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1639304 0.87 TSHR (0.42) TSHRGABRA1GABRB2LMNAKDM4E
SCHEMBL3345346 0.80 CA1 (0.43) TSHRPOLBBCHETYRACHE
SCHEMBL1765958 0.79 GABRA1 (0.54) TSHRGABRA1GABRB2POLBCA1
SCHEMBL8161387 0.79 ALDH1A1 (0.40) TSHRALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL1639189 0.78 TSHR (0.34) TSHRGABRA1GABRB2BCHETYR
SCHEMBL6886707 0.77 TSHR (0.35) TSHRNISCH
SCHEMBL15672822 0.76 AOC3 (0.44) TSHRALDH1A1CYP1A2
SCHEMBL11835692 0.76 TSHR (0.34) TSHRALDH1A1
SCHEMBL2007943 0.76 IRAK4 (0.44) TSHRLMNAHPGDKDM4EALDH1A1
SCHEMBL20721726 0.74 TSHR (1.00) TSHRGABRA1GABRB2POLBBCHE

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-7517925-B2 Benzoxazines, thermosetting resins comprised thereof, and methods for use thereof HENKEL CORPORATION (US) 2009-04-14 US disclosed
US-20040123948-A1 Benzoxazines, thermosetting resins comprised thereof, and methods for use thereof LOCTITE CORPORATION 2004-07-01 US disclosed
US-6743852-B2 A THERMOSETTING RESIN COMPOSITION CONTAINING A BENZOXAZINE COMPOUND WITH A POLYMERIZABLE MOITY, AND A CURING AGENT HENKEL CORPORATION 2004-06-01 US disclosed
US-20030125551-A1 Benzoxazines, thermosetting resins comprised thereof, and methods for use thereof LOCTITE CORPORATION 2003-07-03 US disclosed
WO-2003042196-A1 BENZOXAZINESHAVING POLYMERIZABLE SIDE GROUPS, THERMOSETTING RESI NS COMPRISED THEREOF, AND METHODS FOR USE THEREOF HENKEL CORPORATION (US) 2003-05-22 WO 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-20030125551-A1 Benzoxazines, thermosetting resins comprised thereof, and methods for use thereof TMPO, ALOX5, KDM5A TSHR 3825/4885GABRA1 115/4885GABRB2 188/4885

“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.